Quercetin pentaacetate
TL;DR: Quercetin pentaacetate (CAS 1064-06-8) is a chemical compound with molecular formula C25H20O12 and molecular weight 512.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate
Also Known As: Quercetin pentaacetate, Pentaacetylquercetin, Quercetin acetate, quercetin peracetate, QUERCETINPENTAACETATE
| Molecular Formula | C25H20O12 |
|---|---|
| Molecular Weight | 512.10 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 158.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 512.09546 |
| Heavy Atoms | 37 |
| Complexity | 998.0 |
Chemical Identifiers
| CAS Number | 1064-06-8 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
| InChIKey | JQUHMSXLZZWRHU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Quercetin pentaacetate (CAS 1064-06-8), with molecular formula C25H20O12 and molecular weight 512.10 g/mol. IUPAC: [2-acetyloxy-4-(3,5,7-triacetyloxy-4-oxochromen-2-yl)phenyl] acetate.
Chemical Property Profile of Quercetin pentaacetate
Property Insights of Quercetin pentaacetate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quercetin pentaacetate. The TPSA of 158.0 Ų indicates high polarity, suggesting Quercetin pentaacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Quercetin pentaacetate has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Quercetin pentaacetate?
The CAS number of Quercetin pentaacetate is 1064-06-8.
What is the molecular formula of Quercetin pentaacetate?
The molecular formula of Quercetin pentaacetate is C25H20O12.
What is the molecular weight of Quercetin pentaacetate?
The molecular weight of Quercetin pentaacetate is 512.10 g/mol.
Where can I buy Quercetin pentaacetate?
You can request a quote for Quercetin pentaacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quercetin pentaacetate?
Yes, KEHONG BIO provides custom synthesis services for Quercetin pentaacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.