4-Sulfobenzoic acid potassium salt
TL;DR: 4-Sulfobenzoic acid potassium salt (CAS 5399-63-3) is a chemical compound with molecular formula C7H5KO5S and molecular weight 239.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
potassium 4-carboxybenzenesulfonate
Also Known As: Potassium 4-carboxybenzenesulfonate, 4-Sulfobenzoic acid potassium salt, 4-sulfobenzoic acid monopotassium salt, Ethyl chlorodifluoroacetate, potassium 4-carboxybenzene-1-sulfonate
| Molecular Formula | C7H5KO5S |
|---|---|
| Molecular Weight | 239.95 g/mol |
| LogP | -2.7071 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.94948 |
| Heavy Atoms | 14 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 5399-63-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)O)S(=O)(=O)[O-].[K+] |
| InChIKey | PXRJBUPXKDXDLG-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Sulfobenzoic acid potassium salt (CAS 5399-63-3), with molecular formula C7H5KO5S and molecular weight 239.95 g/mol. IUPAC: potassium 4-carboxybenzenesulfonate.
Chemical Property Profile of 4-Sulfobenzoic acid potassium salt
Property Insights of 4-Sulfobenzoic acid potassium salt
The XLogP value of -2.7071 indicates that 4-Sulfobenzoic acid potassium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Sulfobenzoic acid potassium salt. Following Lipinski's Rule of Five, 4-Sulfobenzoic acid potassium salt has 1 hydrogen bond donor(s) and 5 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-Sulfobenzoic acid potassium salt?
The CAS number of 4-Sulfobenzoic acid potassium salt is 5399-63-3.
What is the molecular formula of 4-Sulfobenzoic acid potassium salt?
The molecular formula of 4-Sulfobenzoic acid potassium salt is C7H5KO5S.
What is the molecular weight of 4-Sulfobenzoic acid potassium salt?
The molecular weight of 4-Sulfobenzoic acid potassium salt is 239.95 g/mol.
Where can I buy 4-Sulfobenzoic acid potassium salt?
You can request a quote for 4-Sulfobenzoic acid potassium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Sulfobenzoic acid potassium salt?
Yes, KEHONG BIO provides custom synthesis services for 4-Sulfobenzoic acid potassium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.