邻苯二酚硫酸酯
TL;DR: 邻苯二酚硫酸酯 (CAS 77271-46-6) 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.
邻苯二酚硫酸酯
(2-hydroxyphenyl) hydrogen sulfate
Also Known As: Pyrocatechol sulfate, catechol sulfate, catechol sulphate, catechol monosulfate, pyrocatechol monosulfate
| Molecular Formula | C6H6O5S |
|---|---|
| Molecular Weight | 189.99 g/mol |
| LogP | 0.5738 |
| Topological Polar Surface Area | 83.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 189.99359 |
| Heavy Atoms | 12 |
| Complexity | 369.27975 |
Chemical Identifiers
| CAS Number | 77271-46-6 |
|---|---|
| SMILES | C1=CC=C(C(=C1)O)OS(=O)(=O)O |
Product Overview
邻苯二酚硫酸酯 (CAS 77271-46-6), with molecular formula C6H6O5S and molecular weight 189.99 g/mol. IUPAC: (2-hydroxyphenyl) hydrogen sulfate.
Chemical Property Profile of 邻苯二酚硫酸酯
Property Insights of 邻苯二酚硫酸酯
The XLogP value of 0.5738 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻苯二酚硫酸酯. The TPSA of 83.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 邻苯二酚硫酸酯. Following Lipinski's Rule of Five, 邻苯二酚硫酸酯 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 邻苯二酚硫酸酯?
The CAS number of 邻苯二酚硫酸酯 is 77271-46-6.
What is the molecular formula of 邻苯二酚硫酸酯?
The molecular formula of 邻苯二酚硫酸酯 is C6H6O5S.
What is the molecular weight of 邻苯二酚硫酸酯?
The molecular weight of 邻苯二酚硫酸酯 is 189.99 g/mol.
Where can I buy 邻苯二酚硫酸酯?
You can request a quote for 邻苯二酚硫酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻苯二酚硫酸酯?
Yes, KEHONG BIO provides custom synthesis services for 邻苯二酚硫酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.