8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate
TL;DR: 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate (CAS 303116-24-7) is a chemical compound with molecular formula C19H13ClO5 and molecular weight 356.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chlorobenzoate
Also Known As: 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate, AE-641/14179041, 8-acetyl-4-methyl-2-oxochromen-7-yl 4-chlorobenzoate, (8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chlorobenzoate, F3095-4104
| Molecular Formula | C19H13ClO5 |
|---|---|
| Molecular Weight | 356.05 g/mol |
| LogP | 4.17662 |
| Topological Polar Surface Area | 73.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 356.04517 |
| Heavy Atoms | 25 |
| Complexity | 1047.8378 |
Chemical Identifiers
| CAS Number | 303116-24-7 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2C(=O)C)OC(=O)C3=CC=C(C=C3)Cl |
Product Overview
8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate (CAS 303116-24-7), with molecular formula C19H13ClO5 and molecular weight 356.05 g/mol. IUPAC: (8-acetyl-4-methyl-2-oxochromen-7-yl) 4-chlorobenzoate.
Chemical Property Profile of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate
Property Insights of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate
The XLogP value of 4.17662 indicates that 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate. Following Lipinski's Rule of Five, 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate 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 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
The CAS number of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate is 303116-24-7.
What is the molecular formula of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
The molecular formula of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate is C19H13ClO5.
What is the molecular weight of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
The molecular weight of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate is 356.05 g/mol.
Where can I buy 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
You can request a quote for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.