Oxanilic acid, 4-methyl-, ethyl ester
TL;DR: Oxanilic acid, 4-methyl-, ethyl ester (CAS 18522-98-0) is a chemical compound with molecular formula C11H13NO3 and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-methylanilino)-2-oxoacetate
Also Known As: ethyl 2-oxo-2-(p-tolylamino)acetate, ethyl [(4-methylphenyl)amino](oxo)acetate, Oxanilic acid, 4-methyl-, ethyl ester, Ethyl 4'-methyloxanilate, ethyl [(4-methylphenyl)carbamoyl]formate
| Molecular Formula | C11H13NO3 |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.08954 |
| Heavy Atoms | 15 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 18522-98-0 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=CC=C(C=C1)C |
| InChIKey | AAMWAWJQPFWTEN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Oxanilic acid, 4-methyl-, ethyl ester (CAS 18522-98-0), with molecular formula C11H13NO3 and molecular weight 207.09 g/mol. IUPAC: ethyl 2-(4-methylanilino)-2-oxoacetate.
Chemical Property Profile of Oxanilic acid, 4-methyl-, ethyl ester
Property Insights of Oxanilic acid, 4-methyl-, ethyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Oxanilic acid, 4-methyl-, ethyl ester. With a topological polar surface area (TPSA) of 55.4 Ų, Oxanilic acid, 4-methyl-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Oxanilic acid, 4-methyl-, ethyl 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 Oxanilic acid, 4-methyl-, ethyl ester?
The CAS number of Oxanilic acid, 4-methyl-, ethyl ester is 18522-98-0.
What is the molecular formula of Oxanilic acid, 4-methyl-, ethyl ester?
The molecular formula of Oxanilic acid, 4-methyl-, ethyl ester is C11H13NO3.
What is the molecular weight of Oxanilic acid, 4-methyl-, ethyl ester?
The molecular weight of Oxanilic acid, 4-methyl-, ethyl ester is 207.09 g/mol.
Where can I buy Oxanilic acid, 4-methyl-, ethyl ester?
You can request a quote for Oxanilic acid, 4-methyl-, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Oxanilic acid, 4-methyl-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Oxanilic acid, 4-methyl-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.