Caa0225 (CAS 244072-26-2): price, suppliers and safety

What is Caa0225?

Plain description, key identifiers and synonyms

Caa0225 is a chemical substance with the molecular formula C28H29N3O5 and a molar mass of 487.56 g/mol. Its CAS registry number is 244072-26-2. The IUPAC name is (2S,3S)-2-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide.

Identifiers

Registry numbers, names and line notations, tap to copy

IUPAC name: (2S,3S)-2-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide
CAS number: 244072-26-2
Molecular formula: C₂₈H₂₉N₃O₅
InChIKey: ZMZQYVMNDRBKLO-SDHOMARFSA-N
InChI: InChI=1S/C28H29N3O5/c32-22-13-11-19(12-14-22)15-16-29-27(34)24-25(36-24)28(35)31-23(17-20-7-3-1-4-8-20)26(33)30-18-21-9-5-2-6-10-21/h1-14,23-25,32H,15-18H2,(H,29,34)(H,30,33)(H,31,35)/t23-,24-,25-/m0/s1
Canonical SMILES: O=C(NCc1ccccc1)C(Cc1ccccc1)NC(=O)C1OC1C(=O)NCCc1ccc(O)cc1
Isomeric SMILES: C1=CC=C(C=C1)C[C@@H](C(=O)NCC2=CC=CC=C2)NC(=O)[C@@H]3[C@H](O3)C(=O)NCCC4=CC=C(C=C4)O

Synonyms

(2S,3S)-2-N-((1S)-1-(benzylcarbamoyl)-2-phenylethyl)-3-N-(2-(4-hydroxyphenyl)ethyl)oxirane-2,3-dicarboxamide
(2S,3S)-2-N-[(1S)-1-(benzylcarbamoyl)-2-phenylethyl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide
(2S,3S)-N2-((S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl)-N3-(4-hydroxyphenethyl)oxirane-2,3-dicarboxamide
(2S,3S)-N3-[2-(4-hydroxyphenyl)ethyl]-N2-[(2S)-1-oxidanylidene-3-phenyl-1-[(phenylmethyl)amino]propan-2-yl]oxirane-2,3-dicarboxamide
(2S,3S)-2-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide

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	487.56 g/molcalc.
Exact mass	487.2107 Dacalc.
LogP (octanol/water)	1.86calc.
Topological polar surface area	120.1 Å²calc.
Hydrogen bond donors	4calc.
Hydrogen bond acceptors	5calc.
Rotatable bonds	11calc.
Heavy atoms	36calc.
Rings	4calc.
Aromatic rings	3calc.
Fraction sp3 carbons	0.25calc.
Formal charge	0calc.
Stereocentres	3calc.
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=C(NCc1ccccc1)C(Cc1ccccc1)NC(=O)C1OC1C(=O)NCCc1ccccc1

4 rings, 35 atoms.

No other chemical in our database has 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.

Caa0225 suppliers

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Caa0225 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 Caa0225 is traded under.

HS 2924.29Indicative HS code

Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other

World exports in 2024

$5.69B

−5.1% vs 2023, imports $5.8B

2019 to 2024

Top exporters

China32.3%
Switzerland * partner reported13.6%
Norway * partner reported12.8%

Top importers

* Partner reported figures, a lower bound.

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

The HS code shown for Caa0225 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

Zotatifin chemical structure, C28H29N3O5, CAS 2098191-53-6

Zotatifin2098191-53-6C₂₈H₂₉N₃O₅1 supplier

Dimethyl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate chemical structure, C28H29N3O5, CAS 433946-21-5

Dimethyl 4-[3-(4-ethoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate433946-21-5C₂₈H₂₉N₃O₅

4-(2-((4-Ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-butoxybenzoate chemical structure, C28H29N3O5, CAS 765303-58-0

4-(2-((4-Ethylanilino)(oxo)acetyl)carbohydrazonoyl)phenyl 4-butoxybenzoate765303-58-0C₂₈H₂₉N₃O₅

2-(3-(((3,4-Dimethoxyphenyl)amino)methyl)-6-methoxy-2-oxoquinolin-1(2H)-yl)-N-(o-tolyl)acetamide chemical structure, C28H29N3O5, CAS 894563-03-2

2-(3-(((3,4-Dimethoxyphenyl)amino)methyl)-6-methoxy-2-oxoquinolin-1(2H)-yl)-N-(o-tolyl)acetamide894563-03-2C₂₈H₂₉N₃O₅

N-(4-Ethoxyphenyl)-2-(7-methoxy-3-(((4-methoxyphenyl)amino)methyl)-2-oxoquinolin-1(2H)-yl)acetamide chemical structure, C28H29N3O5, CAS 894562-25-5

N-(4-Ethoxyphenyl)-2-(7-methoxy-3-(((4-methoxyphenyl)amino)methyl)-2-oxoquinolin-1(2H)-yl)acetamide894562-25-5C₂₈H₂₉N₃O₅

2-(3-(((3,4-Dimethoxyphenyl)amino)methyl)-7-methoxy-2-oxoquinolin-1(2H)-yl)-N-(p-tolyl)acetamide chemical structure, C28H29N3O5, CAS 894562-95-9

2-(3-(((3,4-Dimethoxyphenyl)amino)methyl)-7-methoxy-2-oxoquinolin-1(2H)-yl)-N-(p-tolyl)acetamide894562-95-9C₂₈H₂₉N₃O₅

3-(1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide chemical structure, C28H29N3O5, CAS 899916-18-8

3-(1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-3-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]propanamide899916-18-8C₂₈H₂₉N₃O₅

N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[3-(4-ethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide chemical structure, C28H29N3O5, CAS 899900-80-2

N-[2-(3,4-Dimethoxyphenyl)ethyl]-2-[3-(4-ethylphenyl)-2,4-dioxo-1,2,3,4-tetrahydroquinazolin-1-yl]acetamide899900-80-2C₂₈H₂₉N₃O₅

2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy)-N-(o-tolyl)acetamide chemical structure, C28H29N3O5, CAS 352435-31-5

2-(4-(2-Amino-3-cyano-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromen-4-yl)-2-methoxyphenoxy)-N-(o-tolyl)acetamide352435-31-5C₂₈H₂₉N₃O₅

2,2-Diphenyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide chemical structure, C28H29N3O5, CAS 891128-18-0

2,2-Diphenyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide891128-18-0C₂₈H₂₉N₃O₅

4-Benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide chemical structure, C28H29N3O5, CAS 891128-32-8

4-Benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide891128-32-8C₂₈H₂₉N₃O₅

Fmoc-Ala-Ala-PAB chemical structure, C28H29N3O5, CAS 1384263-83-5

Fmoc-Ala-Ala-PAB1384263-83-5C₂₈H₂₉N₃O₅

Frequently asked questions

Quick answers about Caa0225, based on the data on this page

What is Caa0225?

Caa0225 is a chemical substance with the molecular formula C28H29N3O5 and a molar mass of 487.56 g/mol. Its CAS registry number is 244072-26-2. The IUPAC name is (2S,3S)-2-N-[(2S)-1-(benzylamino)-1-oxo-3-phenylpropan-2-yl]-3-N-[2-(4-hydroxyphenyl)ethyl]oxirane-2,3-dicarboxamide.

What is the CAS number of Caa0225?

The CAS registry number of Caa0225 is 244072-26-2.

What is the molecular formula and weight of Caa0225?

The molecular formula of Caa0225 is C28H29N3O5 and its molar mass is 487.56 g/mol.

What is Caa0225 used for?

Known uses and roles of Caa0225 include building blocks in research and laboratory and screening compounds in research and laboratory.

Is Caa0225 hazardous?

No GHS hazard classification for Caa0225 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 Caa0225?

Caa0225 is usually classified under HS code 292429 (Cyclic amides (including cyclic carbamates) and their derivatives, salts thereof, other). This is indicative, confirm it with your customs broker before shipping.

Where can I buy Caa0225?

Post a free request on CompoundList and suppliers of Caa0225 will send you quotes. Your contact details stay private until you accept a quote.

What is the price of Caa0225?

Suppliers quote Caa0225 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 Caa0225

Caa0225

Key facts

What is Caa0225?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Caa0225 suppliers

Caa0225 price

Uses and applications

Industries and functions

Regulatory status

HS code and trade data

Global trade

Frequently asked questions

What is Caa0225?

What is the CAS number of Caa0225?

What is the molecular formula and weight of Caa0225?

What is Caa0225 used for?

Is Caa0225 hazardous?

What is the HS code of Caa0225?

Where can I buy Caa0225?

What is the price of Caa0225?

Guides for buyers

Get quotes for Caa0225

Key facts

What is Caa0225?

Identifiers

Synonyms

Physical and chemical properties

Physical and chemical properties

Computed descriptors

Murcko scaffold

Safety and hazards

Caa0225 suppliers

Caa0225 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 Caa0225?

What is the CAS number of Caa0225?

What is the molecular formula and weight of Caa0225?

What is Caa0225 used for?

Is Caa0225 hazardous?

What is the HS code of Caa0225?

Where can I buy Caa0225?

What is the price of Caa0225?

Guides for buyers

Get quotes for Caa0225