2-(3',4'-Dihydroxyphenyl)ethylene sulfate
TL;DR: 2-(3',4'-Dihydroxyphenyl)ethylene sulfate (CAS 158080-67-2) is a chemical compound with molecular formula C8H8O6S and molecular weight 232.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-(3,4-dihydroxyphenyl)ethenyl] hydrogen sulfate
Also Known As: Caff-ol sulfate, 2-(3',4'-Dihydroxyphenyl)ethylene sulfate, [(E)-2-(3,4-dihydroxyphenyl)ethenyl] hydrogen sulfate, ((E)-2-(3,4-dihydroxyphenyl)ethenyl) hydrogen sulfate, RefChem:84133
| Molecular Formula | C8H8O6S |
|---|---|
| Molecular Weight | 232.00 g/mol |
| LogP | 0.8879 |
| Topological Polar Surface Area | 104.06 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.00417 |
| Heavy Atoms | 15 |
| Complexity | 475.9053 |
Chemical Identifiers
| CAS Number | 158080-67-2 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C/OS(=O)(=O)O)O)O |
Product Overview
2-(3',4'-Dihydroxyphenyl)ethylene sulfate (CAS 158080-67-2), with molecular formula C8H8O6S and molecular weight 232.00 g/mol. IUPAC: [(E)-2-(3,4-dihydroxyphenyl)ethenyl] hydrogen sulfate.
Chemical Property Profile of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate
Property Insights of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate
The XLogP value of 0.8879 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3',4'-Dihydroxyphenyl)ethylene sulfate. The TPSA of 104.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3',4'-Dihydroxyphenyl)ethylene sulfate. Following Lipinski's Rule of Five, 2-(3',4'-Dihydroxyphenyl)ethylene sulfate has 3 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 2-(3',4'-Dihydroxyphenyl)ethylene sulfate?
The CAS number of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate is 158080-67-2.
What is the molecular formula of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate?
The molecular formula of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate is C8H8O6S.
What is the molecular weight of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate?
The molecular weight of 2-(3',4'-Dihydroxyphenyl)ethylene sulfate is 232.00 g/mol.
Where can I buy 2-(3',4'-Dihydroxyphenyl)ethylene sulfate?
You can request a quote for 2-(3',4'-Dihydroxyphenyl)ethylene sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3',4'-Dihydroxyphenyl)ethylene sulfate?
Yes, KEHONG BIO provides custom synthesis services for 2-(3',4'-Dihydroxyphenyl)ethylene sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.