5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone
TL;DR: 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone (CAS 102673-80-3) is a chemical compound with molecular formula C20H20O9 and molecular weight 404.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one
Also Known As: 5,3'-dihydroxy-3,6,7,8,4'-pentamethoxyflavone, 5,3'-diOH-3,6,7,8,4'-PMF, NCI60_014334, SID:336287007, 3 ,5-Dihydroxy-3,4 ,6,7,8-pentamethoxyflavone
| Molecular Formula | C20H20O9 |
|---|---|
| Molecular Weight | 404.11 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 113.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.11072 |
| Heavy Atoms | 29 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 102673-80-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)C2=C(C(=O)C3=C(C(=C(C(=C3O2)OC)OC)OC)O)OC)O |
| InChIKey | GVLMRDDSMVCWKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone (CAS 102673-80-3), with molecular formula C20H20O9 and molecular weight 404.11 g/mol. IUPAC: 5-hydroxy-2-(3-hydroxy-4-methoxyphenyl)-3,6,7,8-tetramethoxychromen-4-one.
Chemical Property Profile of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone
Property Insights of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone
The XLogP value of 3.1 indicates that 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone. Following Lipinski's Rule of Five, 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone has 2 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 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone?
The CAS number of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone is 102673-80-3.
What is the molecular formula of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone?
The molecular formula of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone is C20H20O9.
What is the molecular weight of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone?
The molecular weight of 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone is 404.11 g/mol.
Where can I buy 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone?
You can request a quote for 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone?
Yes, KEHONG BIO provides custom synthesis services for 5,3'-Dihydroxy-3,6,7,8,4'-pentamethoxyflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.