Quercetin 3-sulfate
TL;DR: Quercetin 3-sulfate (CAS 97736-73-7) is a chemical compound with molecular formula C15H10O10S and molecular weight 382.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] hydrogen sulfate
Also Known As: Quercetin 3-sulfate, Quercetin 3-O-sulfate, Quercetinsulfonic acid, Quercetinsulfonicacid, Quercetin 3-O-sulphate
| Molecular Formula | C15H10O10S |
|---|---|
| Molecular Weight | 382.00 g/mol |
| LogP | 1.464 |
| Topological Polar Surface Area | 174.73 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.99948 |
| Heavy Atoms | 26 |
| Complexity | 1193.2532 |
Chemical Identifiers
| CAS Number | 97736-73-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)O)O |
Product Overview
Quercetin 3-sulfate (CAS 97736-73-7), with molecular formula C15H10O10S and molecular weight 382.00 g/mol. IUPAC: [2-(3,4-dihydroxyphenyl)-5,7-dihydroxy-4-oxochromen-3-yl] hydrogen sulfate.
Chemical Property Profile of Quercetin 3-sulfate
Property Insights of Quercetin 3-sulfate
The XLogP value of 1.464 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quercetin 3-sulfate. The TPSA of 174.73 Ų indicates high polarity, suggesting Quercetin 3-sulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3-sulfate has 5 hydrogen bond donor(s) and 9 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 Quercetin 3-sulfate?
The CAS number of Quercetin 3-sulfate is 97736-73-7.
What is the molecular formula of Quercetin 3-sulfate?
The molecular formula of Quercetin 3-sulfate is C15H10O10S.
What is the molecular weight of Quercetin 3-sulfate?
The molecular weight of Quercetin 3-sulfate is 382.00 g/mol.
Where can I buy Quercetin 3-sulfate?
You can request a quote for Quercetin 3-sulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3-sulfate?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3-sulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.