Benzoic acid, 3-(chlorosulfonyl)-
TL;DR: Benzoic acid, 3-(chlorosulfonyl)- (CAS 4025-64-3) is a chemical compound with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorosulfonylbenzoic acid
Also Known As: 3-(Chlorosulfonyl)benzoic acid, Benzoic acid, 3-(chlorosulfonyl)-, 3-chlorosulfonylbenzoic acid, m-Chlorosulfonylbenzoic acid, 3- benzoicacid
| Molecular Formula | C7H5ClO4S |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 219.9597 |
| Heavy Atoms | 13 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 4025-64-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)Cl)C(=O)O |
| InChIKey | LMRKXSDOAFUINK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid, 3-(chlorosulfonyl)- (CAS 4025-64-3), with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol. IUPAC: 3-chlorosulfonylbenzoic acid.
Chemical Property Profile of Benzoic acid, 3-(chlorosulfonyl)-
Property Insights of Benzoic acid, 3-(chlorosulfonyl)-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3-(chlorosulfonyl)-. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3-(chlorosulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 3-(chlorosulfonyl)- 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 Benzoic acid, 3-(chlorosulfonyl)-?
The CAS number of Benzoic acid, 3-(chlorosulfonyl)- is 4025-64-3.
What is the molecular formula of Benzoic acid, 3-(chlorosulfonyl)-?
The molecular formula of Benzoic acid, 3-(chlorosulfonyl)- is C7H5ClO4S.
What is the molecular weight of Benzoic acid, 3-(chlorosulfonyl)-?
The molecular weight of Benzoic acid, 3-(chlorosulfonyl)- is 219.96 g/mol.
Where can I buy Benzoic acid, 3-(chlorosulfonyl)-?
You can request a quote for Benzoic acid, 3-(chlorosulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3-(chlorosulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3-(chlorosulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.