2-Hydroxy-3-methylbenzenesulfonic acid
TL;DR: 2-Hydroxy-3-methylbenzenesulfonic acid (CAS 4016-01-7) is a chemical compound with molecular formula C7H8O4S and molecular weight 188.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-3-methylbenzenesulfonic acid
Also Known As: o-Cresolsulfonic acid, 2-hydroxy-3-methylbenzenesulfonic acid, o-Cresol-6-sulfonic acid, o-Cresol-4(or 6)-sulfonic acid, 2-Hydroxy-3-methylbenzenesulphonic acid
| Molecular Formula | C7H8O4S |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 83.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.01433 |
| Heavy Atoms | 12 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 4016-01-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)S(=O)(=O)O)O |
| InChIKey | ODEFERITUOZPHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxy-3-methylbenzenesulfonic acid (CAS 4016-01-7), with molecular formula C7H8O4S and molecular weight 188.01 g/mol. IUPAC: 2-hydroxy-3-methylbenzenesulfonic acid.
Chemical Property Profile of 2-Hydroxy-3-methylbenzenesulfonic acid
Property Insights of 2-Hydroxy-3-methylbenzenesulfonic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Hydroxy-3-methylbenzenesulfonic acid. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Hydroxy-3-methylbenzenesulfonic acid. Following Lipinski's Rule of Five, 2-Hydroxy-3-methylbenzenesulfonic 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 2-Hydroxy-3-methylbenzenesulfonic acid?
The CAS number of 2-Hydroxy-3-methylbenzenesulfonic acid is 4016-01-7.
What is the molecular formula of 2-Hydroxy-3-methylbenzenesulfonic acid?
The molecular formula of 2-Hydroxy-3-methylbenzenesulfonic acid is C7H8O4S.
What is the molecular weight of 2-Hydroxy-3-methylbenzenesulfonic acid?
The molecular weight of 2-Hydroxy-3-methylbenzenesulfonic acid is 188.01 g/mol.
Where can I buy 2-Hydroxy-3-methylbenzenesulfonic acid?
You can request a quote for 2-Hydroxy-3-methylbenzenesulfonic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxy-3-methylbenzenesulfonic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxy-3-methylbenzenesulfonic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.