3-(Chlorosulfonyl)-4-methylbenzoic acid
TL;DR: 3-(Chlorosulfonyl)-4-methylbenzoic acid (CAS 3079-22-9) 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.
3-chlorosulfonyl-4-methylbenzoic acid
Also Known As: 3-chlorosulfonyl-4-methylbenzoic acid, 3-chlorosulfonyl-4-methyl-benzoic acid, 3-(chlorosulfonyl)-4-methylbenzoic acid, 3-chlorosulfonyl-4-methyl-benzoicacid, 3-(Chlorosulfonyl)-p-toluic acid
| Molecular Formula | C8H7ClO4S |
|---|---|
| Molecular Weight | 233.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 233.97536 |
| Heavy Atoms | 14 |
| Complexity | 319.0 |
Chemical Identifiers
| CAS Number | 3079-22-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)Cl |
| InChIKey | XVAASXODNQTGCP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(Chlorosulfonyl)-4-methylbenzoic acid (CAS 3079-22-9), with molecular formula C8H7ClO4S and molecular weight 233.98 g/mol. IUPAC: 3-chlorosulfonyl-4-methylbenzoic acid.
Chemical Property Profile of 3-(Chlorosulfonyl)-4-methylbenzoic acid
Property Insights of 3-(Chlorosulfonyl)-4-methylbenzoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Chlorosulfonyl)-4-methylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Chlorosulfonyl)-4-methylbenzoic acid. Following Lipinski's Rule of Five, 3-(Chlorosulfonyl)-4-methylbenzoic 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 3-(Chlorosulfonyl)-4-methylbenzoic acid?
The CAS number of 3-(Chlorosulfonyl)-4-methylbenzoic acid is 3079-22-9.
What is the molecular formula of 3-(Chlorosulfonyl)-4-methylbenzoic acid?
The molecular formula of 3-(Chlorosulfonyl)-4-methylbenzoic acid is C8H7ClO4S.
What is the molecular weight of 3-(Chlorosulfonyl)-4-methylbenzoic acid?
The molecular weight of 3-(Chlorosulfonyl)-4-methylbenzoic acid is 233.98 g/mol.
Where can I buy 3-(Chlorosulfonyl)-4-methylbenzoic acid?
You can request a quote for 3-(Chlorosulfonyl)-4-methylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Chlorosulfonyl)-4-methylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(Chlorosulfonyl)-4-methylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.