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 396.0845 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[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
Technical Specifications
| Molecular Formula | C21H16O8 |
| Molecular Weight | 396.0845 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 396.0845 Da |
| Heavy Atoms | 29 |
| Complexity | 703.0 |
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C=CC(=C3OC(=O)C)OC(=O)C |
| InChIKey | DGBHTUVYXZHRNQ-UHFFFAOYSA-N |
Product Description
Applications: 4',7,8-Triacetoxyisoflavone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4',7,8-Triacetoxyisoflavone (CAS 100001-87-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4',7,8-Triacetoxyisoflavone is a fine chemical identified by CAS number 100001-87-4 and the molecular formula C21H16O8 and a molecular weight of 396.08 g/mol. It is also known as 4',7,8-triacetoxyisoflavone and [4-(7,8-diacetyloxy-4-oxo-chromen-3-yl)phenyl] Acetate.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4',7,8-Triacetoxyisoflavone
Property Insights of 4',7,8-Triacetoxyisoflavone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4',7,8-Triacetoxyisoflavone. The TPSA of 105.0 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
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 396.0845 g/mol.
What are the applications of 4',7,8-Triacetoxyisoflavone?
4',7,8-Triacetoxyisoflavone is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4',7,8-Triacetoxyisoflavone (CAS 100001-87-4) with custom synthesis available from milligram to multi-kilogram scale,...
Where can I buy 4',7,8-Triacetoxyisoflavone?
You can request a quote for 4',7,8-Triacetoxyisoflavone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4',7,8-Triacetoxyisoflavone?
Yes, CoreyChem provides custom synthesis services for 4',7,8-Triacetoxyisoflavone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.