Abafungin (CAS 129639-79-8): price, suppliers and safety

What is Abafungin?

Plain description, key identifiers and synonyms

Abafungin is a member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections. It has a role as an antifungal drug. It is a member of guanidines, an aromatic ether and a member of 1,3-thiazoles.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: 4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
CAS number: 129639-79-8 CAS number cross-checkedOther or deprecated CAS: 178886-71-0
EC number: 603-349-2
Molecular formula: C₂₁H₂₂N₄OS
UNII: 11DI31LWXF
MDL number: MFCD00942263
InChIKey: TYBHXIFFPVFXQW-UHFFFAOYSA-N
InChI: InChI=1S/C21H22N4OS/c1-14-8-9-18(15(2)12-14)26-19-7-4-3-6-16(19)17-13-27-21(24-17)25-20-22-10-5-11-23-20/h3-4,6-9,12-13H,5,10-11H2,1-2H3,(H2,22,23,24,25)
SMILES (canonical and isomeric): CC1=CC(=C(C=C1)OC2=CC=CC=C2C3=CSC(=N3)NC4=NCCCN4)C

Synonyms

bay w 6341
N-[4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl]-1,4,5,6-tetrahydropyrimidin-2-amine
BAY-w-6341
N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}-1,3-diazinan-2-imine
N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}-1,4,5,6-tetrahydropyrimidin-2-amine
N-(4-(2-(2,4-dimethylphenoxy)phenyl)-1,3-thiazol-2-yl)-1,3-diazinan-2-imine
N-(4-(2-(2,4-dimethylphenoxy)phenyl)-1,3-thiazol-2-yl)-1,4,5,6-tetrahydropyrimidin-2-amine
abafungina
abafungine
4-(2-(2,4-Dimethylphenoxy)phenyl)-N-(1,4,5,6-tetrahydropyrimidin-2-yl)thiazol-2-amine
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)-1,3-thiazol-2-amine
Hexahydro-2-((4-(o-(2,4-xylyloxy)phenyl)-2-thiazolyl)imino)pyrimidine
2-Pyrimidinamine, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-
Abasol
abafunginum
4-[2-(2,4-dimethylphenoxy)phenyl]-N-(1,4,5,6-tetrahydropyrimidin-2-yl)thiazol-2-amine
Hexahydro-2-((4-(o
N-{4-[2-(2,4-dimethylphenoxy)phenyl]-1,3-thiazol-2-yl}tetrahydropyrimidin-2(1H)-imine

Physical and chemical properties

Measured values and descriptors computed from the structure

Physical and chemical properties

Measured values, check the supplier specification for your grade

No measured properties are recorded for this substance yet. Ask suppliers for a technical data sheet.

Values vary by grade. Ask suppliers for the COA or TDS of the batch you buy.

Computed descriptors

Calculated from the structure, useful for screening and formulation

Molecular weight	378.50 g/molcalc.
Exact mass	378.1514 Dacalc.
LogP (octanol/water)	4.98calc.
Topological polar surface area	58.54 Å²calc.
Hydrogen bond donors	2calc.
Hydrogen bond acceptors	6calc.
Rotatable bonds	4calc.
Heavy atoms	27calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.24calc.
Formal charge	0calc.
Stereocentres	0calc.
Lipinski rule of five	Passes (0 violations)calc.

Calculated for screening. Confirm critical figures with the supplier.

Murcko scaffold

The ring system that remains when every side chain is removed

c1ccc(Oc2ccccc2-c2csc(NC3=NCCCN3)n2)cc1

4 rings, 25 atoms.

1 other chemical share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

GHS signal word

Warning

Harmful or irritant

Hazard statements

H315Causes skin irritation.
H319Causes serious eye irritation.
H335May cause respiratory irritation.

Precautionary statements (16)

P261Avoid breathing dust, fume, gas, mist, vapours or spray.
P264Wash skin thoroughly after handling.
P264 + P265Wash skin thoroughly after handling. Do not touch eyes.
P271Use only outdoors or in a well-ventilated area.
P280Wear protective gloves, protective clothing, eye protection and face protection.
P302 + P352If on skin: Wash with plenty of water.
P304 + P340If inhaled: Remove person to fresh air and keep comfortable for breathing.
P305 + P351 + P338If in eyes: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.
P319Get medical help if you feel unwell.
P321Specific treatment (see supplemental first aid instructions on the label).
P332 + P317If skin irritation occurs: Get medical help.
P337 + P317If eye irritation persists: Get medical help.
P362 + P364Take off contaminated clothing. And wash it before reuse.
P403 + P233Store in a well-ventilated place. Keep container tightly closed.
P405Store locked up.
P501Dispose of contents and container in accordance with local regulations.

GHS classification summary, not a safety data sheet (SDS). Classifications can differ by supplier, grade and concentration. Always check the supplier's SDS.

Full safety data and first aid

Abafungin suppliers

Sponsored listings first, then the documented ranking: membership, verification, replies, completeness, freshness and ratings

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Hangzhou Viwa Co., Ltd.
China, Hangzhou ManufacturerUnclaimed profile
AbafunginGrade, purity and minimum order on request
Price on request
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Where suppliers are based

1 supplier in 1 country

China1

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Abafungin price

Indicative price range per kg from live supplier offers

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Uses and applications

What the substance is used for, by industry and function

Industries and functions

Antifungals in pharmaceuticals

Roles

antifungal agent
antifungal drug
antiinfective agent
antimicrobial agent
pharmaceutical

Regulatory status

Inventories, regulations and trade controls that list this substance

No regulatory list memberships are recorded for this substance yet. Always check the rules of the importing and exporting country before trade.

HS code and trade data

Customs classification and reported world trade statistics

Global trade

World import and export statistics for the HS code Abafungin is traded under.

HS 2934.10Indicative HS code

Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…

World exports in 2024

$3.88B

−16.1% vs 2023, imports $3.12B

2019 to 2024

Top exporters

Switzerland * partner reported36.4%
Ireland28.8%
China10.0%

Top importers

* Partner reported figures, a lower bound.

Reported customs values in USD, not prices.Full trade data

The HS code shown for Abafungin is indicative (it was assigned by structure rules). Confirm the classification with your customs broker before shipping.

Parent and salt forms, stereoisomers, similar structures and isomers

Salt and hydrate forms

Records that share this compound as their parent

2-Pyrimidinamine, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-, phosphate (1:1) chemical structure, C21H25N4O5PS, CAS 129639-80-1

2-Pyrimidinamine, N-[4-[2-(2,4-dimethylphenoxy)phenyl]-2-thiazolyl]-1,4,5,6-tetrahydro-, phosphate (1:1)129639-80-1C₂₁H₂₅N₄O₅PS

Same formula isomers

Different compounds that share this molecular formula

All isomers

2-((5,6-Diphenyl-1,2,4-triazin-3-yl)thio)-N,N-diethylacetamide chemical structure, C21H22N4OS, CAS 332393-80-3

2-((5,6-Diphenyl-1,2,4-triazin-3-yl)thio)-N,N-diethylacetamide332393-80-3C₂₁H₂₂N₄OS

1-[[2-(2,5-Dimethylphenyl)quinoline-4-carbonyl]amino]-3-ethylthiourea chemical structure, C21H22N4OS, CAS 438232-56-5

1-[[2-(2,5-Dimethylphenyl)quinoline-4-carbonyl]amino]-3-ethylthiourea438232-56-5C₂₁H₂₂N₄OS

9,10-Dimethyl-5-(4-methylpiperidin-1-yl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one chemical structure, C21H22N4OS, CAS 379249-94-2

9,10-Dimethyl-5-(4-methylpiperidin-1-yl)-8H-thieno[2',3':4,5]pyrimido[2,1-a]phthalazin-8-one379249-94-2C₂₁H₂₂N₄OS

2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide chemical structure, C21H22N4OS, CAS 618441-08-0

2-((4-Allyl-5-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-phenylacetamide618441-08-0C₂₁H₂₂N₄OS

Leucettinib-92 chemical structure, C21H22N4OS, CAS 2732859-57-1

Leucettinib-922732859-57-1C₂₁H₂₂N₄OS

2-[[5-[(4-Methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone chemical structure, C21H22N4OS, CAS 438467-15-3

2-[[5-[(4-Methylanilino)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylethanone438467-15-3C₂₁H₂₂N₄OS

2-(4-Phenylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide chemical structure, C21H22N4OS, CAS 725225-01-4

2-(4-Phenylpiperazin-1-yl)-N-(4-phenyl-1,3-thiazol-2-yl)acetamide725225-01-4C₂₁H₂₂N₄OS

2-(Thiophen-2-yl)-1-(4-(6-(o-tolyl)pyridazin-3-yl)piperazin-1-yl)ethanone chemical structure, C21H22N4OS, CAS 1021230-18-1

2-(Thiophen-2-yl)-1-(4-(6-(o-tolyl)pyridazin-3-yl)piperazin-1-yl)ethanone1021230-18-1C₂₁H₂₂N₄OS

N-Phenyl-4-((4-phenylthiazol-2-yl)methyl)piperazine-1-carboxamide chemical structure, C21H22N4OS, CAS 1105216-69-0

N-Phenyl-4-((4-phenylthiazol-2-yl)methyl)piperazine-1-carboxamide1105216-69-0C₂₁H₂₂N₄OS

3-Benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole chemical structure, C21H22N4OS, CAS 825604-89-5

3-Benzyl-6-[(4-tert-butylphenoxy)methyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole825604-89-5C₂₁H₂₂N₄OS

3-(4-(2-Methoxyethyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole chemical structure, C21H22N4OS, CAS 852145-17-6

3-(4-(2-Methoxyethyl)-5-((2-methylbenzyl)thio)-4H-1,2,4-triazol-3-yl)-1H-indole852145-17-6C₂₁H₂₂N₄OS

Ziprasidone impurity 10 chemical structure, C21H22N4OS, CAS 118305-72-9

Ziprasidone impurity 10118305-72-9C₂₁H₂₂N₄OS

Frequently asked questions

Quick answers about Abafungin, based on the data on this page

What is Abafungin?

Abafungin is a member of the class of guanidines that is tetrahydropyrimidin-2(1H)-imine in which the hydrogen of the imino group is replaced by a thiazol-2-yl group which in turn is substituted by a 2-(2,4-dimethylphenoxy)phenyl group at position 4. It has been used for the topical treatment of fungal nail infections.

What is the CAS number of Abafungin?

The CAS registry number of Abafungin is 129639-79-8. Other or deprecated CAS numbers: 178886-71-0.

What is the molecular formula and weight of Abafungin?

The molecular formula of Abafungin is C21H22N4OS and its molar mass is 378.50 g/mol.

What is Abafungin used for?

Known uses and roles of Abafungin include antifungals in pharmaceuticals, antifungal agent, antifungal drug, antiinfective agent, antimicrobial agent and 1 more.

Is Abafungin hazardous?

Abafungin carries the GHS signal word "Warning". Main hazards: causes skin irritation, causes serious eye irritation, may cause respiratory irritation. This summary is not an SDS, always read the supplier safety data sheet.

What is the HS code of Abafungin?

Abafungin is usually classified under HS code 293410 (Compounds containing an unfused thiazole ring (whether or not hydrogenated) in the…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Abafungin?

CompoundList lists 1 supplier of Abafungin in China. Send one free request to get and compare quotes. Your contact details stay private until you accept a quote.

What is the price of Abafungin?

Suppliers quote Abafungin on request because prices depend on grade, purity, quantity and destination. A free request on CompoundList gets you several quotes to compare.

Guides for buyers

Practical guides that help when you source, ship or handle Abafungin

Abafungin

Key facts

What is Abafungin?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Abafungin suppliers

Where suppliers are based

Send one request to many suppliers

Abafungin price

Uses and applications

Industries and functions

Roles

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Abafungin?

What is the CAS number of Abafungin?

What is the molecular formula and weight of Abafungin?

What is Abafungin used for?

Is Abafungin hazardous?

What is the HS code of Abafungin?

Where can I buy Abafungin?

What is the price of Abafungin?

Guides for buyers

Get quotes for Abafungin

Key facts

What is Abafungin?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Hazard statements

Abafungin suppliers

Where suppliers are based

Send one request to many suppliers

Abafungin price

Uses and applications

Industries and functions

Roles

Regulatory status

HS code and trade data

Global trade

Related chemicals

Salt and hydrate forms

Same formula isomers

Frequently asked questions

What is Abafungin?

What is the CAS number of Abafungin?

What is the molecular formula and weight of Abafungin?

What is Abafungin used for?

Is Abafungin hazardous?

What is the HS code of Abafungin?

Where can I buy Abafungin?

What is the price of Abafungin?

Guides for buyers

Get quotes for Abafungin