5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
TL;DR: 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CAS 527-96-8) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Also Known As: NCI60_004783, 5-hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one, 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-chromen-4-one, 4H-1-benzopyran-4-one, 5-hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-, 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)-4H-1-benzopyran-4-one
| Molecular Formula | C21H22O9 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 622.0 |
Chemical Identifiers
| CAS Number | 527-96-8 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(C(=CC(=C3O2)OC)OC)O)OC |
| InChIKey | NRKZWKQNNBDASC-UHFFFAOYSA-N |
Product Overview
5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one (CAS 527-96-8), with molecular formula C21H22O9 and molecular weight 418.13 g/mol. IUPAC: 5-hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one.
Chemical Property Profile of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Property Insights of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
The XLogP value of 3.4 indicates that 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one. Following Lipinski's Rule of Five, 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one has 1 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-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The CAS number of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is 527-96-8.
What is the molecular formula of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The molecular formula of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is C21H22O9.
What is the molecular weight of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
The molecular weight of 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one is 418.13 g/mol.
Where can I buy 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
You can request a quote for 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hydroxy-3,6,8-trimethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.