1,4-苯二酚1-硫酸氢酯
TL;DR: 1,4-苯二酚1-硫酸氢酯 (CAS 6651-00-9) is a chemical compound with molecular formula C6H6O5S and molecular weight 189.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-苯二酚1-硫酸氢酯
(4-hydroxyphenyl) hydrogen sulfate
Also Known As: Quinol sulfate, 4-hydroxyphenyl hydrogen sulfate, hydroquinone sulfate, quinol sulphate, quinol monosulfate
| Molecular Formula | C6H6O5S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 92.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.99359 |
| Heavy Atoms | 12 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 6651-00-9 |
|---|---|
| SMILES | C1=CC(=CC=C1O)OS(=O)(=O)O |
| InChIKey | FPXPQMOQWJZYBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-苯二酚1-硫酸氢酯 (CAS 6651-00-9), with molecular formula C6H6O5S and molecular weight 189.99 g/mol. IUPAC: (4-hydroxyphenyl) hydrogen sulfate.
Chemical Property Profile of 1,4-苯二酚1-硫酸氢酯
Property Insights of 1,4-苯二酚1-硫酸氢酯
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-苯二酚1-硫酸氢酯. The TPSA of 92.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-苯二酚1-硫酸氢酯. Following Lipinski's Rule of Five, 1,4-苯二酚1-硫酸氢酯 has 2 hydrogen bond donor(s) and 5 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 1,4-苯二酚1-硫酸氢酯?
The CAS number of 1,4-苯二酚1-硫酸氢酯 is 6651-00-9.
What is the molecular formula of 1,4-苯二酚1-硫酸氢酯?
The molecular formula of 1,4-苯二酚1-硫酸氢酯 is C6H6O5S.
What is the molecular weight of 1,4-苯二酚1-硫酸氢酯?
The molecular weight of 1,4-苯二酚1-硫酸氢酯 is 189.99 g/mol.
Where can I buy 1,4-苯二酚1-硫酸氢酯?
You can request a quote for 1,4-苯二酚1-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 1,4-苯二酚1-硫酸氢酯?
Yes, KEHONG BIO provides custom synthesis services for 1,4-苯二酚1-硫酸氢酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.