4-羟基苯磺酸
TL;DR: 4-羟基苯磺酸 (CAS 98-67-9) is a chemical compound with molecular formula C6H6O4S and molecular weight 174.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-羟基苯磺酸
4-hydroxybenzenesulfonic acid
Also Known As: 4-Hydroxybenzenesulfonic acid, p-Phenolsulfonic acid, phenolsulfonic acid, 4-Phenolsulfonic acid, Sulfocarbolic acid
| Molecular Formula | C6H6O4S |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 173.99867 |
| Heavy Atoms | 11 |
| Complexity | 207.0 |
| Density | 1.337 |
| Solubility | MISCIBLE WITH WATER, ALCOHOL |
| Vapor Pressure | 0.00000033 [mmHg] |
| Refractive Index | = 1.4890 at 20 °C |
Chemical Identifiers
| CAS Number | 98-67-9 |
|---|---|
| SMILES | C1=CC(=CC=C1O)S(=O)(=O)O |
| InChIKey | FEPBITJSIHRMRT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基苯磺酸 (CAS 98-67-9), with molecular formula C6H6O4S and molecular weight 174.00 g/mol. IUPAC: 4-hydroxybenzenesulfonic acid.
Chemical Property Profile of 4-羟基苯磺酸
Property Insights of 4-羟基苯磺酸
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基苯磺酸. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基苯磺酸. Following Lipinski's Rule of Five, 4-Hydroxybenzenesulfonic acid has 2 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-Hydroxybenzenesulfonic acid?
The CAS number of 4-Hydroxybenzenesulfonic acid is 98-67-9.
What is the molecular formula of 4-Hydroxybenzenesulfonic acid?
The molecular formula of 4-Hydroxybenzenesulfonic acid is C6H6O4S.
What is the molecular weight of 4-Hydroxybenzenesulfonic acid?
The molecular weight of 4-Hydroxybenzenesulfonic acid is 174.00 g/mol.
Where can I buy 4-Hydroxybenzenesulfonic acid?
You can request a quote for 4-Hydroxybenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Hydroxybenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Hydroxybenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.