4-Chloro-3-(chlorosulphonyl)benzoic acid
TL;DR: 4-Chloro-3-(chlorosulphonyl)benzoic acid (CAS 2494-79-3) is a chemical compound with molecular formula C7H4Cl2O4S and molecular weight 253.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-chlorosulfonylbenzoic acid
Also Known As: 4-chloro-3-(chlorosulfonyl)benzoic acid, 4-chloro-3-chlorosulfonylbenzoic acid, 6-methyl tetraline, Benzoic acid, 4-chloro-3-(chlorosulfonyl)-, Indapamide Impurity D
| Molecular Formula | C7H4Cl2O4S |
|---|---|
| Molecular Weight | 253.92 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.92073 |
| Heavy Atoms | 14 |
| Complexity | 321.0 |
Chemical Identifiers
| CAS Number | 2494-79-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)S(=O)(=O)Cl)Cl |
| InChIKey | LYBQQYNSZYSUMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chloro-3-(chlorosulphonyl)benzoic acid (CAS 2494-79-3), with molecular formula C7H4Cl2O4S and molecular weight 253.92 g/mol. IUPAC: 4-chloro-3-chlorosulfonylbenzoic acid.
Chemical Property Profile of 4-Chloro-3-(chlorosulphonyl)benzoic acid
Property Insights of 4-Chloro-3-(chlorosulphonyl)benzoic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(chlorosulphonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Chloro-3-(chlorosulphonyl)benzoic acid. Following Lipinski's Rule of Five, 4-Chloro-3-(chlorosulphonyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-3-(chlorosulphonyl)benzoic acid?
The CAS number of 4-Chloro-3-(chlorosulphonyl)benzoic acid is 2494-79-3.
What is the molecular formula of 4-Chloro-3-(chlorosulphonyl)benzoic acid?
The molecular formula of 4-Chloro-3-(chlorosulphonyl)benzoic acid is C7H4Cl2O4S.
What is the molecular weight of 4-Chloro-3-(chlorosulphonyl)benzoic acid?
The molecular weight of 4-Chloro-3-(chlorosulphonyl)benzoic acid is 253.92 g/mol.
Where can I buy 4-Chloro-3-(chlorosulphonyl)benzoic acid?
You can request a quote for 4-Chloro-3-(chlorosulphonyl)benzoic 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-3-(chlorosulphonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(chlorosulphonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.