8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate
TL;DR: 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate (CAS 303116-29-2) is a chemical compound with molecular formula C20H16O5 and molecular weight 336.10 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-methylbenzoate
Also Known As: 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate, (8-acetyl-4-methyl-2-oxochromen-7-yl) 4-methylbenzoate, 8-acetyl-4-methyl-2-oxochromen-7-yl 4-methylbenzoate
| Molecular Formula | C20H16O5 |
|---|---|
| Molecular Weight | 336.10 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 69.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.09976 |
| Heavy Atoms | 25 |
| Complexity | 585.0 |
Chemical Identifiers
| CAS Number | 303116-29-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=C(C3=C(C=C2)C(=CC(=O)O3)C)C(=O)C |
| InChIKey | AYESBTJTAYEMCT-UHFFFAOYSA-N |
Product Overview
8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate (CAS 303116-29-2), with molecular formula C20H16O5 and molecular weight 336.10 g/mol. IUPAC: (8-acetyl-4-methyl-2-oxochromen-7-yl) 4-methylbenzoate.
Chemical Property Profile of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate
Property Insights of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate
The XLogP value of 3.3 indicates that 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate. Following Lipinski's Rule of Five, 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate 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-methylbenzoate?
The CAS number of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate is 303116-29-2.
What is the molecular formula of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate?
The molecular formula of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate is C20H16O5.
What is the molecular weight of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate?
The molecular weight of 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate is 336.10 g/mol.
Where can I buy 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate?
You can request a quote for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate 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-methylbenzoate?
Yes, KEHONG BIO provides custom synthesis services for 8-acetyl-4-methyl-2-oxo-2H-chromen-7-yl 4-methylbenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.