Acetic acid, oxo(phenylamino)-, methyl ester
TL;DR: Acetic acid, oxo(phenylamino)-, methyl ester (CAS 13797-22-3) is a chemical compound with molecular formula C9H9NO3 and molecular weight 179.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-anilino-2-oxoacetate
Also Known As: methyl phenyloxamate, Methyl anilino(oxo)acetate, Methyl Phenylcarbamoylformate, methyl 2-anilino-2-oxoacetate, Phenyl-oxalamidsaeure-methylester
| Molecular Formula | C9H9NO3 |
|---|---|
| Molecular Weight | 179.06 g/mol |
| LogP | 0.7981 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.05824 |
| Heavy Atoms | 13 |
| Complexity | 307.89566 |
Chemical Identifiers
| CAS Number | 13797-22-3 |
|---|---|
| SMILES | COC(=O)C(=O)NC1=CC=CC=C1 |
Product Overview
Acetic acid, oxo(phenylamino)-, methyl ester (CAS 13797-22-3), with molecular formula C9H9NO3 and molecular weight 179.06 g/mol. IUPAC: methyl 2-anilino-2-oxoacetate.
Chemical Property Profile of Acetic acid, oxo(phenylamino)-, methyl ester
Property Insights of Acetic acid, oxo(phenylamino)-, methyl ester
The XLogP value of 0.7981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, oxo(phenylamino)-, methyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Acetic acid, oxo(phenylamino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetic acid, oxo(phenylamino)-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Acetic acid, oxo(phenylamino)-, methyl ester?
The CAS number of Acetic acid, oxo(phenylamino)-, methyl ester is 13797-22-3.
What is the molecular formula of Acetic acid, oxo(phenylamino)-, methyl ester?
The molecular formula of Acetic acid, oxo(phenylamino)-, methyl ester is C9H9NO3.
What is the molecular weight of Acetic acid, oxo(phenylamino)-, methyl ester?
The molecular weight of Acetic acid, oxo(phenylamino)-, methyl ester is 179.06 g/mol.
Where can I buy Acetic acid, oxo(phenylamino)-, methyl ester?
You can request a quote for Acetic acid, oxo(phenylamino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, oxo(phenylamino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, oxo(phenylamino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.