2-Acetyl-4-methylphenyl benzoate
TL;DR: 2-Acetyl-4-methylphenyl benzoate (CAS 4010-19-9) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-methylphenyl) benzoate
Also Known As: 2-acetyl-4-methylphenyl benzoate, (2-acetyl-4-methylphenyl) benzoate, 2-acetyl-4-methylphenylbenzoate, (2-acetyl-4-methyl-phenyl) benzoate, Benzoic acid 2-acetyl-4-methylphenyl ester
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.41682 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 615.1461 |
Chemical Identifiers
| CAS Number | 4010-19-9 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)OC(=O)C2=CC=CC=C2)C(=O)C |
Product Overview
2-Acetyl-4-methylphenyl benzoate (CAS 4010-19-9), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (2-acetyl-4-methylphenyl) benzoate.
Chemical Property Profile of 2-Acetyl-4-methylphenyl benzoate
Property Insights of 2-Acetyl-4-methylphenyl benzoate
The XLogP value of 3.41682 indicates that 2-Acetyl-4-methylphenyl benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 2-Acetyl-4-methylphenyl benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-4-methylphenyl benzoate has 0 hydrogen bond donor(s) and 3 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 2-Acetyl-4-methylphenyl benzoate?
The CAS number of 2-Acetyl-4-methylphenyl benzoate is 4010-19-9.
What is the molecular formula of 2-Acetyl-4-methylphenyl benzoate?
The molecular formula of 2-Acetyl-4-methylphenyl benzoate is C16H14O3.
What is the molecular weight of 2-Acetyl-4-methylphenyl benzoate?
The molecular weight of 2-Acetyl-4-methylphenyl benzoate is 254.09 g/mol.
Where can I buy 2-Acetyl-4-methylphenyl benzoate?
You can request a quote for 2-Acetyl-4-methylphenyl benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-4-methylphenyl benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-4-methylphenyl benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.