Anisotine (CAS 16688-19-0): price, suppliers and safety

What is Anisotine?

Plain description, key identifiers and synonyms

Anisotine is a member of quinazolines.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate
CAS number: 16688-19-0 CAS number cross-checked
Molecular formula: C₂₀H₁₉N₃O₃
InChIKey: FZKRWTVMKFSFSG-UHFFFAOYSA-N
InChI: InChI=1S/C20H19N3O3/c1-21-16-8-7-12(11-15(16)20(25)26-2)13-9-10-23-18(13)22-17-6-4-3-5-14(17)19(23)24/h3-8,11,13,21H,9-10H2,1-2H3
SMILES (canonical and isomeric): CNC1=C(C=C(C=C1)C2CCN3C2=NC4=CC=CC=C4C3=O)C(=O)OC

Synonyms

methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo[2,1-b]quinazolin-3-yl)benzoate
methyl 2-(methylamino)-5-(9-oxo-2,3-dihydro-1H-pyrrolo(2,1-b)quinazolin-3-yl)benzoate
Methyl 2-(methylamino)-5-((3R)-9-oxo-1H,2H,3H,9H-pyrrolo(2,1-b)quinazolin-3-yl)benzoic acid
Methyl 2-(methylamino)-5-[(3R)-9-oxo-1H,2H,3H,9H-pyrrolo[2,1-b]quinazolin-3-yl]benzoic acid
Methyl 2-(methylamino)-5-(9-oxo-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-yl)benzoate

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	349.39 g/molcalc.
Exact mass	349.1426 Dacalc.
LogP (octanol/water)	2.76calc.
Topological polar surface area	73.22 Å²calc.
Hydrogen bond donors	1calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	3calc.
Heavy atoms	26calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.25calc.
Formal charge	0calc.
Stereocentres	1calc.
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

O=c1c2ccccc2nc2n1CCC2c1ccccc1

4 rings, 20 atoms.

4 other chemicals share this scaffold

Safety and hazards

GHS classification summary, not a safety data sheet

No GHS hazard classification is recorded for this substance yet. That does not mean it is harmless.

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

Anisotine suppliers

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Anisotine 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

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 Anisotine is traded under.

HS 2933.59Indicative HS code

Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring, other

World exports in 2024

$18.4B

+10.5% vs 2023, imports $24.8B

2019 to 2024

Top exporters

Ireland43.6%
Switzerland * partner reported26.3%
China7.9%

Top importers

* Partner reported figures, a lower bound.

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

The HS code shown for Anisotine 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

Same formula isomers

Different compounds that share this molecular formula

All isomers

3-Nitro-1-phenyl-4-(piperidin-1-yl)quinolin-2(1H)-one chemical structure, C20H19N3O3, CAS 334501-09-6

3-Nitro-1-phenyl-4-(piperidin-1-yl)quinolin-2(1H)-one334501-09-6C₂₀H₁₉N₃O₃

Benzopyrano(4,3,2-de)phthalazin-3(2H)-one, 10-((4-hydroxy-1-piperidinyl)methyl)- chemical structure, C20H19N3O3, CAS 902128-92-1

Benzopyrano(4,3,2-de)phthalazin-3(2H)-one, 10-((4-hydroxy-1-piperidinyl)methyl)-902128-92-1C₂₀H₁₉N₃O₃

2-Phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide chemical structure, C20H19N3O3, CAS 851095-96-0

2-Phenoxy-N-[5-(5,6,7,8-tetrahydronaphthalen-2-yl)-1,3,4-oxadiazol-2-yl]acetamide851095-96-0C₂₀H₁₉N₃O₃

N-(1,3-Benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide chemical structure, C20H19N3O3, CAS 851213-36-0

N-(1,3-Benzodioxol-5-yl)-2,3-diethyl-6-quinoxalinecarboxamide851213-36-0C₂₀H₁₉N₃O₃

8-Dimethylaminomethyl-7-hydroxy-3-(1-methyl-1H-benzoimidazol-2-yl)-chromen-2-one chemical structure, C20H19N3O3, CAS 300556-27-8

8-Dimethylaminomethyl-7-hydroxy-3-(1-methyl-1H-benzoimidazol-2-yl)-chromen-2-one300556-27-8C₂₀H₁₉N₃O₃

Methyl 2-[(4E)-4-[(4-methylanilino)methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate chemical structure, C20H19N3O3, CAS 523992-04-3

Methyl 2-[(4E)-4-[(4-methylanilino)methylidene]-5-oxo-1-phenylpyrazol-3-yl]acetate523992-04-3C₂₀H₁₉N₃O₃

2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione chemical structure, C20H19N3O3, CAS 301298-87-3

2-(1,5-Dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione301298-87-3C₂₀H₁₉N₃O₃

4-(4-Hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one chemical structure, C20H19N3O3, CAS 573942-06-0

4-(4-Hydroxy-3-methoxyphenyl)-3-methyl-5-(4-methylphenyl)-4,5-dihydropyrrolo[3,4-c]pyrazol-6(1H)-one573942-06-0C₂₀H₁₉N₃O₃

5-{[2-(4-Methoxyphenyl)ethyl]amino}-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile chemical structure, C20H19N3O3, CAS 606948-46-3

5-{[2-(4-Methoxyphenyl)ethyl]amino}-2-(phenoxymethyl)-1,3-oxazole-4-carbonitrile606948-46-3C₂₀H₁₉N₃O₃

3-(3-Hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol chemical structure, C20H19N3O3, CAS 848203-80-5

3-(3-Hydroxypropyl)-4-imino-5-phenyl-5H-chromeno[2,3-d]pyrimidin-8-ol848203-80-5C₂₀H₁₉N₃O₃

N-(Oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide chemical structure, C20H19N3O3, CAS 862484-73-9

N-(Oxolan-2-ylmethyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide862484-73-9C₂₀H₁₉N₃O₃

2-(1,3-Dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(9H-fluoren-2-yl)acetamide chemical structure, C20H19N3O3, CAS 1008954-90-2

2-(1,3-Dimethyl-2,5-dioxoimidazolidin-4-yl)-N-(9H-fluoren-2-yl)acetamide1008954-90-2C₂₀H₁₉N₃O₃

Frequently asked questions

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

What is Anisotine?

Anisotine is a member of quinazolines.

What is the CAS number of Anisotine?

The CAS registry number of Anisotine is 16688-19-0.

What is the molecular formula and weight of Anisotine?

The molecular formula of Anisotine is C20H19N3O3 and its molar mass is 349.39 g/mol.

What is Anisotine used for?

Known uses and roles of Anisotine include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Anisotine hazardous?

No GHS hazard classification for Anisotine is recorded on CompoundList yet. That does not prove it is safe. Always read the supplier safety data sheet.

What is the HS code of Anisotine?

Anisotine is usually classified under HS code 293359 (Compounds containing a pyrimidine ring (whether or not hydrogenated) or piperazine ring…). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Anisotine?

Post a free request on CompoundList and suppliers of Anisotine will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Anisotine?

Suppliers quote Anisotine 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 Anisotine

Anisotine

Key facts

What is Anisotine?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Anisotine suppliers

Anisotine price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Anisotine?

What is the CAS number of Anisotine?

What is the molecular formula and weight of Anisotine?

What is Anisotine used for?

Is Anisotine hazardous?

What is the HS code of Anisotine?

Where can I buy Anisotine?

What is the price of Anisotine?

Guides for buyers

Get quotes for Anisotine

Key facts

What is Anisotine?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Anisotine suppliers

Anisotine price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Related chemicals

Same formula isomers

Frequently asked questions

What is Anisotine?

What is the CAS number of Anisotine?

What is the molecular formula and weight of Anisotine?

What is Anisotine used for?

Is Anisotine hazardous?

What is the HS code of Anisotine?

Where can I buy Anisotine?

What is the price of Anisotine?

Guides for buyers

Get quotes for Anisotine