4',6,7-Trihydroxyisoflavone triacetate
TL;DR: 4',6,7-Trihydroxyisoflavone triacetate (CAS 20816-28-8) is a chemical compound with molecular formula C21H16O8 and molecular weight 396.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(6,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate
Also Known As: 4',6,7-Trihydroxyisoflavone triacetate, Isoflavone, 4',6,7-trihydroxy-, triacetate, [4-(6,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate, 4H-1-Benzopyran-4-one, 6,7-bis(acetyloxy)-3-(4-(acetyloxy)phenyl)-, 3-[4-(acetyloxy)phenyl]-4-oxo-4h-chromene-6,7-diyl diacetate
| Molecular Formula | C21H16O8 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0845 |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
Chemical Identifiers
| CAS Number | 20816-28-8 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=COC3=CC(=C(C=C3C2=O)OC(=O)C)OC(=O)C |
| InChIKey | XRHUFAPVOZZSDG-UHFFFAOYSA-N |
Product Overview
4',6,7-Trihydroxyisoflavone triacetate (CAS 20816-28-8), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: [4-(6,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate.
Chemical Property Profile of 4',6,7-Trihydroxyisoflavone triacetate
Property Insights of 4',6,7-Trihydroxyisoflavone triacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',6,7-Trihydroxyisoflavone triacetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',6,7-Trihydroxyisoflavone triacetate. Following Lipinski's Rule of Five, 4',6,7-Trihydroxyisoflavone triacetate has 0 hydrogen bond donor(s) and 8 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 4',6,7-Trihydroxyisoflavone triacetate?
The CAS number of 4',6,7-Trihydroxyisoflavone triacetate is 20816-28-8.
What is the molecular formula of 4',6,7-Trihydroxyisoflavone triacetate?
The molecular formula of 4',6,7-Trihydroxyisoflavone triacetate is C21H16O8.
What is the molecular weight of 4',6,7-Trihydroxyisoflavone triacetate?
The molecular weight of 4',6,7-Trihydroxyisoflavone triacetate is 396.08 g/mol.
Where can I buy 4',6,7-Trihydroxyisoflavone triacetate?
You can request a quote for 4',6,7-Trihydroxyisoflavone triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',6,7-Trihydroxyisoflavone triacetate?
Yes, KEHONG BIO provides custom synthesis services for 4',6,7-Trihydroxyisoflavone triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.