Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
TL;DR: Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester (CAS 3254-79-3) is a chemical compound with molecular formula C15H13Cl2NO2 and molecular weight 309.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(2,6-dichloro-3-methylanilino)benzoate
Also Known As: 2- benzoicacidmethylester, Meclofenamic acid methyl derivative, Methyl 2-(2,6-dichloro-3-methylanilino)benzoate, Meclofenamic acid, methyl ester, Methyl 2-((2,6-dichloro-3-methylphenyl)amino)benzoate
| Molecular Formula | C15H13Cl2NO2 |
|---|---|
| Molecular Weight | 309.03 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 309.03235 |
| Heavy Atoms | 20 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 3254-79-3 |
|---|---|
| SMILES | CC1=C(C(=C(C=C1)Cl)NC2=CC=CC=C2C(=O)OC)Cl |
| InChIKey | IZZWHVDZJOINFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester (CAS 3254-79-3), with molecular formula C15H13Cl2NO2 and molecular weight 309.03 g/mol. IUPAC: methyl 2-(2,6-dichloro-3-methylanilino)benzoate.
Chemical Property Profile of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
Property Insights of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester
The XLogP value of 5.5 indicates that Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, 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, Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester?
The CAS number of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester is 3254-79-3.
What is the molecular formula of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester?
The molecular formula of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester is C15H13Cl2NO2.
What is the molecular weight of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester?
The molecular weight of Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester is 309.03 g/mol.
Where can I buy Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester?
You can request a quote for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((2,6-dichloro-3-methylphenyl)amino)-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.