Pentamethylquercetin
TL;DR: Pentamethylquercetin (CAS 1247-97-8) is a chemical compound with molecular formula C20H20O7 and molecular weight 372.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one
Also Known As: Quercetin pentamethyl ether, Pentamethylquercetin, Pentamethoxyquercetin, Penta-O-methylquercitin, Pentamethyl querceton
| Molecular Formula | C20H20O7 |
|---|---|
| Molecular Weight | 372.12 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 72.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.1209 |
| Heavy Atoms | 27 |
| Complexity | 561.0 |
Chemical Identifiers
| CAS Number | 1247-97-8 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(O2)C=C(C=C3OC)OC)OC)OC |
| InChIKey | ALGDHWVALRSLBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentamethylquercetin (CAS 1247-97-8), with molecular formula C20H20O7 and molecular weight 372.12 g/mol. IUPAC: 2-(3,4-dimethoxyphenyl)-3,5,7-trimethoxychromen-4-one.
Chemical Property Profile of Pentamethylquercetin
Property Insights of Pentamethylquercetin
The XLogP value of 3.2 indicates that Pentamethylquercetin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentamethylquercetin. Following Lipinski's Rule of Five, Pentamethylquercetin has 0 hydrogen bond donor(s) and 7 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 Pentamethylquercetin?
The CAS number of Pentamethylquercetin is 1247-97-8.
What is the molecular formula of Pentamethylquercetin?
The molecular formula of Pentamethylquercetin is C20H20O7.
What is the molecular weight of Pentamethylquercetin?
The molecular weight of Pentamethylquercetin is 372.12 g/mol.
Where can I buy Pentamethylquercetin?
You can request a quote for Pentamethylquercetin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentamethylquercetin?
Yes, KEHONG BIO provides custom synthesis services for Pentamethylquercetin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.