Methyl 2-(3-chloro-2-methylanilino)benzoate
TL;DR: Methyl 2-(3-chloro-2-methylanilino)benzoate (CAS 31376-49-5) is a chemical compound with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(3-chloro-2-methylanilino)benzoate
Also Known As: Tolfenamic acid, methyl ester, Methyl 2-(3-chloro-2-methylanilino)benzoate, Tolfenamic acid, methyl deriv., Benzoic acid, 2-[(3-chloro-2-methylphenyl)amino]-, methyl ester, 2-[(3-chloro-2-methylphenyl)amino]-benzoic acid methyl ester
| Molecular Formula | C15H14ClNO2 |
|---|---|
| Molecular Weight | 275.07 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 | 275.07132 |
| Heavy Atoms | 19 |
| Complexity | 311.0 |
Chemical Identifiers
| CAS Number | 31376-49-5 |
|---|---|
| SMILES | CC1=C(C=CC=C1Cl)NC2=CC=CC=C2C(=O)OC |
| InChIKey | CNIPMLJEWLMTCO-UHFFFAOYSA-N |
Product Overview
Methyl 2-(3-chloro-2-methylanilino)benzoate (CAS 31376-49-5), with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol. IUPAC: methyl 2-(3-chloro-2-methylanilino)benzoate.
Chemical Property Profile of Methyl 2-(3-chloro-2-methylanilino)benzoate
Property Insights of Methyl 2-(3-chloro-2-methylanilino)benzoate
The XLogP value of 5.5 indicates that Methyl 2-(3-chloro-2-methylanilino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, Methyl 2-(3-chloro-2-methylanilino)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 2-(3-chloro-2-methylanilino)benzoate 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 Methyl 2-(3-chloro-2-methylanilino)benzoate?
The CAS number of Methyl 2-(3-chloro-2-methylanilino)benzoate is 31376-49-5.
What is the molecular formula of Methyl 2-(3-chloro-2-methylanilino)benzoate?
The molecular formula of Methyl 2-(3-chloro-2-methylanilino)benzoate is C15H14ClNO2.
What is the molecular weight of Methyl 2-(3-chloro-2-methylanilino)benzoate?
The molecular weight of Methyl 2-(3-chloro-2-methylanilino)benzoate is 275.07 g/mol.
Where can I buy Methyl 2-(3-chloro-2-methylanilino)benzoate?
You can request a quote for Methyl 2-(3-chloro-2-methylanilino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(3-chloro-2-methylanilino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(3-chloro-2-methylanilino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.