3(或4)-甲基苯酚硫酸氢酯
TL;DR: 3(或4)-甲基苯酚硫酸氢酯 (CAS 68127-34-4) 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.
3(或4)-甲基苯酚硫酸氢酯
(3-methylphenyl) hydrogen sulfate
Also Known As: m-cresol sulfate, Sulfonated cresol, 3-methylphenyl hydrogen sulfate, Caswell No. 810A, 3-Methylphenol sulfate
| Molecular Formula | C7H8O4S |
|---|---|
| Molecular Weight | 188.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 72.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 188.01433 |
| Heavy Atoms | 12 |
| Complexity | 228.0 |
Chemical Identifiers
| CAS Number | 68127-34-4 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OS(=O)(=O)O |
| InChIKey | HZGJZZQVDDYIIO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3(或4)-甲基苯酚硫酸氢酯 (CAS 68127-34-4), with molecular formula C7H8O4S and molecular weight 188.01 g/mol. IUPAC: (3-methylphenyl) hydrogen sulfate.
Chemical Property Profile of 3(或4)-甲基苯酚硫酸氢酯
Property Insights of 3(或4)-甲基苯酚硫酸氢酯
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3(或4)-甲基苯酚硫酸氢酯. The TPSA of 72.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3(或4)-甲基苯酚硫酸氢酯. Following Lipinski's Rule of Five, 3(或4)-甲基苯酚硫酸氢酯 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(或4)-甲基苯酚硫酸氢酯?
The CAS number of 3(或4)-甲基苯酚硫酸氢酯 is 68127-34-4.
What is the molecular formula of 3(或4)-甲基苯酚硫酸氢酯?
The molecular formula of 3(或4)-甲基苯酚硫酸氢酯 is C7H8O4S.
What is the molecular weight of 3(或4)-甲基苯酚硫酸氢酯?
The molecular weight of 3(或4)-甲基苯酚硫酸氢酯 is 188.01 g/mol.
Where can I buy 3(或4)-甲基苯酚硫酸氢酯?
You can request a quote for 3(或4)-甲基苯酚硫酸氢酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3(或4)-甲基苯酚硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 3(或4)-甲基苯酚硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.