4-(Chlorosulfonyl)benzoic acid
TL;DR: 4-(Chlorosulfonyl)benzoic acid (CAS 10130-89-9) 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.
4-chlorosulfonylbenzoic acid
Also Known As: 4-(Chlorosulfonyl)benzoic acid, 4-chlorosulfonylbenzoic acid, Benzoic acid, 4-(chlorosulfonyl)-, p-(Chlorosulfonyl)benzoic acid, (chlorosulfonyl)benzoic acid
| Molecular Formula | C7H5ClO4S |
|---|---|
| Molecular Weight | 219.96 g/mol |
| LogP | 1.5 |
| 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 | 284.0 |
Chemical Identifiers
| CAS Number | 10130-89-9 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)Cl |
| InChIKey | PTCSSXYPZOFISK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Chlorosulfonyl)benzoic acid (CAS 10130-89-9), with molecular formula C7H5ClO4S and molecular weight 219.96 g/mol. IUPAC: 4-chlorosulfonylbenzoic acid.
Chemical Property Profile of 4-(Chlorosulfonyl)benzoic acid
Property Insights of 4-(Chlorosulfonyl)benzoic acid
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Chlorosulfonyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Chlorosulfonyl)benzoic acid. Following Lipinski's Rule of Five, 4-(Chlorosulfonyl)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-(Chlorosulfonyl)benzoic acid?
The CAS number of 4-(Chlorosulfonyl)benzoic acid is 10130-89-9.
What is the molecular formula of 4-(Chlorosulfonyl)benzoic acid?
The molecular formula of 4-(Chlorosulfonyl)benzoic acid is C7H5ClO4S.
What is the molecular weight of 4-(Chlorosulfonyl)benzoic acid?
The molecular weight of 4-(Chlorosulfonyl)benzoic acid is 219.96 g/mol.
Where can I buy 4-(Chlorosulfonyl)benzoic acid?
You can request a quote for 4-(Chlorosulfonyl)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-(Chlorosulfonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Chlorosulfonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.