Sodium p-chlorobenzenesulfonate
TL;DR: Sodium p-chlorobenzenesulfonate (CAS 5138-90-9) is a chemical compound with molecular formula C6H4ClNaO3S and molecular weight 213.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 4-chlorobenzenesulfonate
Also Known As: Sodium 4-chlorobenzenesulfonate, Sodium p-chlorobenzenesulfonate, sodium;4-chlorobenzenesulfonate, Sodium para-chlorobenzosulphate, Sodium 4-chlorobenzenesulphonate
| Molecular Formula | C6H4ClNaO3S |
|---|---|
| Molecular Weight | 213.95 g/mol |
| LogP | -1.7519 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.94673 |
| Heavy Atoms | 12 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 5138-90-9 |
|---|---|
| SMILES | C1=CC(=CC=C1S(=O)(=O)[O-])Cl.[Na+] |
| InChIKey | XLKHCFJHGIAKFX-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Sodium p-chlorobenzenesulfonate (CAS 5138-90-9), with molecular formula C6H4ClNaO3S and molecular weight 213.95 g/mol. IUPAC: sodium 4-chlorobenzenesulfonate.
Chemical Property Profile of Sodium p-chlorobenzenesulfonate
Property Insights of Sodium p-chlorobenzenesulfonate
The XLogP value of -1.7519 indicates that Sodium p-chlorobenzenesulfonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Sodium p-chlorobenzenesulfonate. Following Lipinski's Rule of Five, Sodium p-chlorobenzenesulfonate has 0 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 Sodium p-chlorobenzenesulfonate?
The CAS number of Sodium p-chlorobenzenesulfonate is 5138-90-9.
What is the molecular formula of Sodium p-chlorobenzenesulfonate?
The molecular formula of Sodium p-chlorobenzenesulfonate is C6H4ClNaO3S.
What is the molecular weight of Sodium p-chlorobenzenesulfonate?
The molecular weight of Sodium p-chlorobenzenesulfonate is 213.95 g/mol.
Where can I buy Sodium p-chlorobenzenesulfonate?
You can request a quote for Sodium p-chlorobenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sodium p-chlorobenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for Sodium p-chlorobenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.