o-(2-Chloro-m-toluyl)benzoic acid
TL;DR: o-(2-Chloro-m-toluyl)benzoic acid (CAS 860596-64-1) is a chemical compound with molecular formula C15H11ClO3 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-chloro-3-methylbenzoyl)benzoic acid
Also Known As: o-(2-Chloro-m-toluyl)benzoic acid, 2-(2-chloro-3-methylbenzoyl)benzoic acid, 2-(2-chloro-3-methyl-benzoyl)benzoic acid, 2-(2-chloro-3-methyl-benzoyl)-benzoic acid
| Molecular Formula | C15H11ClO3 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 54.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 274.03967 |
| Heavy Atoms | 19 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 860596-64-1 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C(=O)C2=CC=CC=C2C(=O)O)Cl |
| InChIKey | BUAIPXJGWORIPU-UHFFFAOYSA-N |
Product Overview
o-(2-Chloro-m-toluyl)benzoic acid (CAS 860596-64-1), with molecular formula C15H11ClO3 and molecular weight 274.04 g/mol. IUPAC: 2-(2-chloro-3-methylbenzoyl)benzoic acid.
Chemical Property Profile of o-(2-Chloro-m-toluyl)benzoic acid
Property Insights of o-(2-Chloro-m-toluyl)benzoic acid
The XLogP value of 3.8 indicates that o-(2-Chloro-m-toluyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.4 Ų, o-(2-Chloro-m-toluyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, o-(2-Chloro-m-toluyl)benzoic acid 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 o-(2-Chloro-m-toluyl)benzoic acid?
The CAS number of o-(2-Chloro-m-toluyl)benzoic acid is 860596-64-1.
What is the molecular formula of o-(2-Chloro-m-toluyl)benzoic acid?
The molecular formula of o-(2-Chloro-m-toluyl)benzoic acid is C15H11ClO3.
What is the molecular weight of o-(2-Chloro-m-toluyl)benzoic acid?
The molecular weight of o-(2-Chloro-m-toluyl)benzoic acid is 274.04 g/mol.
Where can I buy o-(2-Chloro-m-toluyl)benzoic acid?
You can request a quote for o-(2-Chloro-m-toluyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for o-(2-Chloro-m-toluyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for o-(2-Chloro-m-toluyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.