2-Anilinobenzoic acid methyl ester
TL;DR: 2-Anilinobenzoic acid methyl ester (CAS 35708-19-1) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-anilinobenzoate
Also Known As: 2-Anilinobenzoic acid methyl ester, Methyl 2-anilinobenzoate, methyl 2-(phenylamino)benzoate, Methyl N-phenylanthranilate, Methyl 2-anilinobenzoate #
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 35708-19-1 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC2=CC=CC=C2 |
| InChIKey | ODDHBYXHXZCAGQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Anilinobenzoic acid methyl ester (CAS 35708-19-1), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: methyl 2-anilinobenzoate.
Chemical Property Profile of 2-Anilinobenzoic acid methyl ester
Property Insights of 2-Anilinobenzoic acid methyl ester
The XLogP value of 4.7 indicates that 2-Anilinobenzoic acid methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Anilinobenzoic acid methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Anilinobenzoic acid 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 2-Anilinobenzoic acid methyl ester?
The CAS number of 2-Anilinobenzoic acid methyl ester is 35708-19-1.
What is the molecular formula of 2-Anilinobenzoic acid methyl ester?
The molecular formula of 2-Anilinobenzoic acid methyl ester is C14H13NO2.
What is the molecular weight of 2-Anilinobenzoic acid methyl ester?
The molecular weight of 2-Anilinobenzoic acid methyl ester is 227.09 g/mol.
Where can I buy 2-Anilinobenzoic acid methyl ester?
You can request a quote for 2-Anilinobenzoic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Anilinobenzoic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2-Anilinobenzoic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.