2-(o-Carboxyanilino)-3-chloro-o-toluic acid
TL;DR: 2-(o-Carboxyanilino)-3-chloro-o-toluic acid (CAS 33527-28-5) is a chemical compound with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-carboxyanilino)-3-chloro-5-methylbenzoic acid
Also Known As: 2-(o-Carboxyanilino)-3-chloro-o-toluic acid, o-Toluic acid, 2-(o-carboxyanilino)-3-chloro-, 2-(2-carboxyanilino)-3-chloro-5-methylbenzoic acid, Anthranilic acid, N-(o-carboxyphenyl)-3-chloro-4-methyl-, N-(2'-Chloro-3'-methyl-6'-carboxyphenyl)anthranilic acid
| Molecular Formula | C15H12ClNO4 |
|---|---|
| Molecular Weight | 305.05 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 86.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.04547 |
| Heavy Atoms | 21 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 33527-28-5 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1)Cl)NC2=CC=CC=C2C(=O)O)C(=O)O |
| InChIKey | NCWRGTGABHVAOP-UHFFFAOYSA-N |
Product Overview
2-(o-Carboxyanilino)-3-chloro-o-toluic acid (CAS 33527-28-5), with molecular formula C15H12ClNO4 and molecular weight 305.05 g/mol. IUPAC: 2-(2-carboxyanilino)-3-chloro-5-methylbenzoic acid.
Chemical Property Profile of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid
Property Insights of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid
The XLogP value of 4.1 indicates that 2-(o-Carboxyanilino)-3-chloro-o-toluic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(o-Carboxyanilino)-3-chloro-o-toluic acid. Following Lipinski's Rule of Five, 2-(o-Carboxyanilino)-3-chloro-o-toluic acid has 3 hydrogen bond donor(s) and 5 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-(o-Carboxyanilino)-3-chloro-o-toluic acid?
The CAS number of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid is 33527-28-5.
What is the molecular formula of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid?
The molecular formula of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid is C15H12ClNO4.
What is the molecular weight of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid?
The molecular weight of 2-(o-Carboxyanilino)-3-chloro-o-toluic acid is 305.05 g/mol.
Where can I buy 2-(o-Carboxyanilino)-3-chloro-o-toluic acid?
You can request a quote for 2-(o-Carboxyanilino)-3-chloro-o-toluic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(o-Carboxyanilino)-3-chloro-o-toluic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(o-Carboxyanilino)-3-chloro-o-toluic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.