3-Hydroxybenzenesulfonate
TL;DR: 3-Hydroxybenzenesulfonate (CAS 68059-90-5) is a chemical compound with molecular formula C6H5O4S- and molecular weight 172.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxybenzenesulfonate
Also Known As: 3-hydroxybenzenesulfonate, 3-hydroxybenzenesulfonic acid, Benzenesulfonic acid, 3-hydroxy-, ion(1-)
| Molecular Formula | C6H5O4S- |
|---|---|
| Molecular Weight | 172.99 g/mol |
| LogP | 0.2963 |
| Topological Polar Surface Area | 77.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 172.99086 |
| Heavy Atoms | 11 |
| Complexity | 354.59998 |
Chemical Identifiers
| CAS Number | 68059-90-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)[O-])O |
Product Overview
3-Hydroxybenzenesulfonate (CAS 68059-90-5), with molecular formula C6H5O4S- and molecular weight 172.99 g/mol. IUPAC: 3-hydroxybenzenesulfonate.
Chemical Property Profile of 3-Hydroxybenzenesulfonate
Property Insights of 3-Hydroxybenzenesulfonate
The XLogP value of 0.2963 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hydroxybenzenesulfonate. The TPSA of 77.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Hydroxybenzenesulfonate. Following Lipinski's Rule of Five, 3-Hydroxybenzenesulfonate 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-Hydroxybenzenesulfonate?
The CAS number of 3-Hydroxybenzenesulfonate is 68059-90-5.
What is the molecular formula of 3-Hydroxybenzenesulfonate?
The molecular formula of 3-Hydroxybenzenesulfonate is C6H5O4S-.
What is the molecular weight of 3-Hydroxybenzenesulfonate?
The molecular weight of 3-Hydroxybenzenesulfonate is 172.99 g/mol.
Where can I buy 3-Hydroxybenzenesulfonate?
You can request a quote for 3-Hydroxybenzenesulfonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Hydroxybenzenesulfonate?
Yes, KEHONG BIO provides custom synthesis services for 3-Hydroxybenzenesulfonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.