2-Chloro-5-(methylsulphonyl)benzoic acid
TL;DR: 2-Chloro-5-(methylsulphonyl)benzoic acid (CAS 874838-79-6) is a chemical compound with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-5-methylsulfonylbenzoic acid
Also Known As: 2-chloro-5-(methylsulfonyl)benzoic acid, 2-chloro-5-methylsulfonylbenzoic acid, 2-chloro-5-methanesulfonylbenzoic acid, CYCLOPENTylisoTHIOCYANATE, 2-CHLORO-5- BENZOICACID
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 1.4417 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97536 |
| Heavy Atoms | 14 |
| Complexity | 478.1147 |
Chemical Identifiers
| CAS Number | 874838-79-6 |
|---|---|
| SMILES | CS(=O)(=O)C1=CC(=C(C=C1)Cl)C(=O)O |
Product Overview
2-Chloro-5-(methylsulphonyl)benzoic acid (CAS 874838-79-6), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: 2-chloro-5-methylsulfonylbenzoic acid.
Chemical Property Profile of 2-Chloro-5-(methylsulphonyl)benzoic acid
Property Insights of 2-Chloro-5-(methylsulphonyl)benzoic acid
The XLogP value of 1.4417 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-5-(methylsulphonyl)benzoic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-5-(methylsulphonyl)benzoic acid. Following Lipinski's Rule of Five, 2-Chloro-5-(methylsulphonyl)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 2-Chloro-5-(methylsulphonyl)benzoic acid?
The CAS number of 2-Chloro-5-(methylsulphonyl)benzoic acid is 874838-79-6.
What is the molecular formula of 2-Chloro-5-(methylsulphonyl)benzoic acid?
The molecular formula of 2-Chloro-5-(methylsulphonyl)benzoic acid is C8H7ClO4S.
What is the molecular weight of 2-Chloro-5-(methylsulphonyl)benzoic acid?
The molecular weight of 2-Chloro-5-(methylsulphonyl)benzoic acid is 233.98 g/mol.
Where can I buy 2-Chloro-5-(methylsulphonyl)benzoic acid?
You can request a quote for 2-Chloro-5-(methylsulphonyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-5-(methylsulphonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-5-(methylsulphonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.