4-Chloro-2-methylbenzoic acid
TL;DR: 4-Chloro-2-methylbenzoic acid (CAS 7499-07-2) is a chemical compound with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-methylbenzoic acid
Also Known As: 4-Chloro-2-methylbenzoic acid, 4-Chloro-o-toluic acid, 4-chloro-2-methylbenzoicacid, 3-Chlorobenzophenone, Benzoic acid, 4-chloro-2-methyl-
| Molecular Formula | C8H7ClO2 |
|---|---|
| Molecular Weight | 170.01 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 170.01346 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 7499-07-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)C(=O)O |
| InChIKey | XXFKOBGFMUIWDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-2-methylbenzoic acid (CAS 7499-07-2), with molecular formula C8H7ClO2 and molecular weight 170.01 g/mol. IUPAC: 4-chloro-2-methylbenzoic acid.
Chemical Property Profile of 4-Chloro-2-methylbenzoic acid
Property Insights of 4-Chloro-2-methylbenzoic acid
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-2-methylbenzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 4-Chloro-2-methylbenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-methylbenzoic acid has 1 hydrogen bond donor(s) and 2 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 4-Chloro-2-methylbenzoic acid?
The CAS number of 4-Chloro-2-methylbenzoic acid is 7499-07-2.
What is the molecular formula of 4-Chloro-2-methylbenzoic acid?
The molecular formula of 4-Chloro-2-methylbenzoic acid is C8H7ClO2.
What is the molecular weight of 4-Chloro-2-methylbenzoic acid?
The molecular weight of 4-Chloro-2-methylbenzoic acid is 170.01 g/mol.
Where can I buy 4-Chloro-2-methylbenzoic acid?
You can request a quote for 4-Chloro-2-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-2-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.