Quercetin 3,3'-bissulfate
TL;DR: Quercetin 3,3'-bissulfate (CAS 108909-05-3) is a chemical compound with molecular formula C15H10O13S2 and molecular weight 461.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate
Also Known As: Quercetin 3,3'-bissulfate, Quercetin 3,3'-di-O-sulfate, Quercetin 3,3 -bissulfate, quercetin 3,3'-bis(hydrogen sulfate), J2.731.657C
| Molecular Formula | C15H10O13S2 |
|---|---|
| Molecular Weight | 461.96 g/mol |
| LogP | 0.94 |
| Topological Polar Surface Area | 218.1 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 461.95627 |
| Heavy Atoms | 30 |
| Complexity | 1435.6179 |
Chemical Identifiers
| CAS Number | 108909-05-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1C2=C(C(=O)C3=C(C=C(C=C3O2)O)O)OS(=O)(=O)O)OS(=O)(=O)O)O |
Product Overview
Quercetin 3,3'-bissulfate (CAS 108909-05-3), with molecular formula C15H10O13S2 and molecular weight 461.96 g/mol. IUPAC: [5,7-dihydroxy-2-(4-hydroxy-3-sulfooxyphenyl)-4-oxochromen-3-yl] hydrogen sulfate.
Chemical Property Profile of Quercetin 3,3'-bissulfate
Property Insights of Quercetin 3,3'-bissulfate
The XLogP value of 0.94 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quercetin 3,3'-bissulfate. The TPSA of 218.1 Ų indicates high polarity, suggesting Quercetin 3,3'-bissulfate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin 3,3'-bissulfate has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quercetin 3,3'-bissulfate?
The CAS number of Quercetin 3,3'-bissulfate is 108909-05-3.
What is the molecular formula of Quercetin 3,3'-bissulfate?
The molecular formula of Quercetin 3,3'-bissulfate is C15H10O13S2.
What is the molecular weight of Quercetin 3,3'-bissulfate?
The molecular weight of Quercetin 3,3'-bissulfate is 461.96 g/mol.
Where can I buy Quercetin 3,3'-bissulfate?
You can request a quote for Quercetin 3,3'-bissulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin 3,3'-bissulfate?
Yes, KEHONG BIO provides custom synthesis services for Quercetin 3,3'-bissulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.