7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one
TL;DR: 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one (CAS 13020-22-9) is a chemical compound with molecular formula C17H12O4 and molecular weight 280.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-oxo-3-phenylchromen-7-yl) acetate
Also Known As: 7-acetoxyisoflavone, 2-Butyl hydroperoxide, 4-oxo-3-phenyl-4H-chromen-7-yl acetate, IFLab1_003429, (4-oxo-3-phenylchromen-7-yl) acetate
| Molecular Formula | C17H12O4 |
|---|---|
| Molecular Weight | 280.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 280.07355 |
| Heavy Atoms | 21 |
| Complexity | 448.0 |
Chemical Identifiers
| CAS Number | 13020-22-9 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C(=O)C(=CO2)C3=CC=CC=C3 |
| InChIKey | WFVAMCNYBITPBJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one (CAS 13020-22-9), with molecular formula C17H12O4 and molecular weight 280.07 g/mol. IUPAC: (4-oxo-3-phenylchromen-7-yl) acetate.
Chemical Property Profile of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one
Property Insights of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one. With a topological polar surface area (TPSA) of 52.6 Ų, 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one has 0 hydrogen bond donor(s) and 4 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 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one?
The CAS number of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one is 13020-22-9.
What is the molecular formula of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one?
The molecular formula of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one is C17H12O4.
What is the molecular weight of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one?
The molecular weight of 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one is 280.07 g/mol.
Where can I buy 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one?
You can request a quote for 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 7-(Acetyloxy)-3-phenyl-4H-1-benzopyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.