4-羟基-2-甲基苯磺酸
TL;DR: 4-羟基-2-甲基苯磺酸 (CAS 7134-05-6) 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.
4-羟基-2-甲基苯磺酸
4-hydroxy-2-methylbenzenesulfonic acid
Also Known As: 4-hydroxy-2-methylbenzenesulfonic acid, Policresulen Impurity 7, Policresulen Impurity 2, m-Cresol-4-sulfonic acid, o-Toluenesulfonic acid, 4-hydroxy-
| Molecular Formula | C7H8O4S |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 0.7 |
| 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 | 7134-05-6 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)O)S(=O)(=O)O |
| InChIKey | PYPXOMYXFFYJIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-羟基-2-甲基苯磺酸 (CAS 7134-05-6), with molecular formula C7H8O4S and molecular weight 188.01 g/mol. IUPAC: 4-hydroxy-2-methylbenzenesulfonic acid.
Chemical Property Profile of 4-羟基-2-甲基苯磺酸
Property Insights of 4-羟基-2-甲基苯磺酸
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-羟基-2-甲基苯磺酸. The TPSA of 83.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-羟基-2-甲基苯磺酸. Following Lipinski's Rule of Five, 4-羟基-2-甲基苯磺酸 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 4-羟基-2-甲基苯磺酸?
The CAS number of 4-羟基-2-甲基苯磺酸 is 7134-05-6.
What is the molecular formula of 4-羟基-2-甲基苯磺酸?
The molecular formula of 4-羟基-2-甲基苯磺酸 is C7H8O4S.
What is the molecular weight of 4-羟基-2-甲基苯磺酸?
The molecular weight of 4-羟基-2-甲基苯磺酸 is 188.01 g/mol.
Where can I buy 4-羟基-2-甲基苯磺酸?
You can request a quote for 4-羟基-2-甲基苯磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-羟基-2-甲基苯磺酸?
Yes, KEHONG BIO provides custom synthesis services for 4-羟基-2-甲基苯磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.