![5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate structure](/static/products/5995/5995-97-1.webp)
5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate
TL;DR: 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate (CAS 5995-97-1) 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-(5,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate
Also Known As: Maybridge4_003455, 4/',5,7-Triacetoxyisoflavone, 4 ,5,7-Triacetoxyisoflavone, 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate, 4',5,7-TrihydroxyisoflavoneTriacetate
| 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 | 5995-97-1 |
|---|---|
| SMILES | CC(=O)OC1=CC=C(C=C1)C2=COC3=C(C2=O)C(=CC(=C3)OC(=O)C)OC(=O)C |
| InChIKey | YFPWPHUQAVBEHF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate (CAS 5995-97-1), with molecular formula C21H16O8 and molecular weight 396.08 g/mol. IUPAC: [4-(5,7-diacetyloxy-4-oxochromen-3-yl)phenyl] acetate.
Chemical Property Profile of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate
Property Insights of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate 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 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate?
The CAS number of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate is 5995-97-1.
What is the molecular formula of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate?
The molecular formula of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate is C21H16O8.
What is the molecular weight of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate?
The molecular weight of 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate is 396.08 g/mol.
Where can I buy 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate?
You can request a quote for 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 5-(Acetyloxy)-3-[4-(acetyloxy)phenyl]-4-oxo-4H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.