3-benzoyl-2-oxo-2H-chromen-7-yl acetate
TL;DR: 3-benzoyl-2-oxo-2H-chromen-7-yl acetate (CAS 77819-97-7) is a chemical compound with molecular formula C18H12O5 and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-benzoyl-2-oxochromen-7-yl) acetate
Also Known As: 3-benzoyl-2-oxo-2H-chromen-7-yl acetate, (3-benzoyl-2-oxochromen-7-yl) acetate, 2-oxo-3-(phenylcarbonyl)-2H-chromen-7-yl acetate, ACETIC ACID 3-BENZOYL-2-OXO-2H-CHROMEN-7-YL ESTER
| Molecular Formula | C18H12O5 |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 2.9493 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 308.06848 |
| Heavy Atoms | 23 |
| Complexity | 954.0579 |
Chemical Identifiers
| CAS Number | 77819-97-7 |
|---|---|
| SMILES | CC(=O)OC1=CC2=C(C=C1)C=C(C(=O)O2)C(=O)C3=CC=CC=C3 |
Product Overview
3-benzoyl-2-oxo-2H-chromen-7-yl acetate (CAS 77819-97-7), with molecular formula C18H12O5 and molecular weight 308.07 g/mol. IUPAC: (3-benzoyl-2-oxochromen-7-yl) acetate.
Chemical Property Profile of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate
Property Insights of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate
The XLogP value of 2.9493 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-benzoyl-2-oxo-2H-chromen-7-yl acetate. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-benzoyl-2-oxo-2H-chromen-7-yl acetate. Following Lipinski's Rule of Five, 3-benzoyl-2-oxo-2H-chromen-7-yl acetate has 0 hydrogen bond donor(s) and 5 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 3-benzoyl-2-oxo-2H-chromen-7-yl acetate?
The CAS number of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate is 77819-97-7.
What is the molecular formula of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate?
The molecular formula of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate is C18H12O5.
What is the molecular weight of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate?
The molecular weight of 3-benzoyl-2-oxo-2H-chromen-7-yl acetate is 308.07 g/mol.
Where can I buy 3-benzoyl-2-oxo-2H-chromen-7-yl acetate?
You can request a quote for 3-benzoyl-2-oxo-2H-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 3-benzoyl-2-oxo-2H-chromen-7-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 3-benzoyl-2-oxo-2H-chromen-7-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.