3,4-Dichlorobenzenesulfonic acid
TL;DR: 3,4-Dichlorobenzenesulfonic acid (CAS 939-95-7) is a chemical compound with molecular formula C6H4Cl2O3S and molecular weight 225.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dichlorobenzenesulfonic acid
Also Known As: 3,4-Dichlorobenzenesulfonic acid, null, 3,4-Dichloro-benzenesulfonic acid, 3,4-DICHLOROBENZENESULFONICACID, 3,4-Dichlorobenzenesulfonic
| Molecular Formula | C6H4Cl2O3S |
|---|---|
| Molecular Weight | 225.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 225.92583 |
| Heavy Atoms | 12 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 939-95-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1S(=O)(=O)O)Cl)Cl |
| InChIKey | WIWQDBABYGRKEW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Dichlorobenzenesulfonic acid (CAS 939-95-7), with molecular formula C6H4Cl2O3S and molecular weight 225.93 g/mol. IUPAC: 3,4-dichlorobenzenesulfonic acid.
Chemical Property Profile of 3,4-Dichlorobenzenesulfonic acid
Property Insights of 3,4-Dichlorobenzenesulfonic acid
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Dichlorobenzenesulfonic acid. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dichlorobenzenesulfonic acid. Following Lipinski's Rule of Five, 3,4-Dichlorobenzenesulfonic 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 3,4-Dichlorobenzenesulfonic acid?
The CAS number of 3,4-Dichlorobenzenesulfonic acid is 939-95-7.
What is the molecular formula of 3,4-Dichlorobenzenesulfonic acid?
The molecular formula of 3,4-Dichlorobenzenesulfonic acid is C6H4Cl2O3S.
What is the molecular weight of 3,4-Dichlorobenzenesulfonic acid?
The molecular weight of 3,4-Dichlorobenzenesulfonic acid is 225.93 g/mol.
Where can I buy 3,4-Dichlorobenzenesulfonic acid?
You can request a quote for 3,4-Dichlorobenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dichlorobenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dichlorobenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.