4',7,8-Triacetoxyisoflavone
TL;DR: 4',7,8-Triacetoxyisoflavone (CAS 100001-87-4) 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-(7,8-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate
Also Known As: 4',7,8-triacetoxyisoflavone, [4-(7,8-diacetyloxy-4-oxo-chromen-3-yl)phenyl] Acetate, Acetic acid 7-acetoxy-3-(4-acetoxy-phenyl)-4-oxo-4H-chromen-8-yl ester
| Molecular Formula | C21H16O8 |
|---|---|
| Molecular Weight | 396.08 g/mol |
| LogP | 3.2359 |
| Topological Polar Surface Area | 109.11 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.0845 |
| Heavy Atoms | 29 |
| Complexity | 1171.7456 |
Chemical Identifiers
| CAS Number | 100001-87-4 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC(=O)C)OC(=O)C |
Product Overview
4',7,8-Triacetoxyisoflavone (CAS 100001-87-4), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: [4-(7,8-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate.
Chemical Property Profile of 4',7,8-Triacetoxyisoflavone
Property Insights of 4',7,8-Triacetoxyisoflavone
The XLogP value of 3.2359 indicates that 4',7,8-Triacetoxyisoflavone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 109.11 Ų falls within the moderate polarity range, balancing permeability and solubility for 4',7,8-Triacetoxyisoflavone. Following Lipinski's Rule of Five, 4',7,8-Triacetoxyisoflavone 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',7,8-Triacetoxyisoflavone?
The CAS number of 4',7,8-Triacetoxyisoflavone is 100001-87-4.
What is the molecular formula of 4',7,8-Triacetoxyisoflavone?
The molecular formula of 4',7,8-Triacetoxyisoflavone is C21H16O8.
What is the molecular weight of 4',7,8-Triacetoxyisoflavone?
The molecular weight of 4',7,8-Triacetoxyisoflavone is 396.08 g/mol.
Where can I buy 4',7,8-Triacetoxyisoflavone?
You can request a quote for 4',7,8-Triacetoxyisoflavone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4',7,8-Triacetoxyisoflavone?
Yes, KEHONG BIO provides custom synthesis services for 4',7,8-Triacetoxyisoflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.