间苯酚磺酸
TL;DR: 间苯酚磺酸 (CAS 585-38-6) 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.
间苯酚磺酸
3-hydroxybenzenesulfonic acid
Also Known As: m-Phenolsulfonic acid, 3-hydroxybenzenesulfonic acid, Phenol-3-sulfonic acid, Phenol-m-sulfosaure, m-Hydroxybenzenesulphonic acid
| Molecular Formula | C6H6O4S |
|---|---|
| Molecular Weight | 174.00 g/mol |
| LogP | 0.3 |
| 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 | 215.0 |
Chemical Identifiers
| CAS Number | 585-38-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)S(=O)(=O)O)O |
| InChIKey | ZCLXQTGLKVQKFD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间苯酚磺酸 (CAS 585-38-6), with molecular formula C6H6O4S and molecular weight 174.00 g/mol. IUPAC: 3-hydroxybenzenesulfonic acid.
Chemical Property Profile of 间苯酚磺酸
Property Insights of 间苯酚磺酸
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 间苯酚磺酸. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 间苯酚磺酸. Following Lipinski's Rule of Five, 间苯酚磺酸 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 间苯酚磺酸?
The CAS number of 间苯酚磺酸 is 585-38-6.
What is the molecular formula of 间苯酚磺酸?
The molecular formula of 间苯酚磺酸 is C6H6O4S.
What is the molecular weight of 间苯酚磺酸?
The molecular weight of 间苯酚磺酸 is 174.00 g/mol.
Where can I buy 间苯酚磺酸?
You can request a quote for 间苯酚磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间苯酚磺酸?
Yes, KEHONG BIO provides custom synthesis services for 间苯酚磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.