4-Methyl-benzoic acid 4-acetyl-phenyl ester
TL;DR: 4-Methyl-benzoic acid 4-acetyl-phenyl ester (CAS 72734-78-2) 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.
(4-acetylphenyl) 4-methylbenzoate
Also Known As: (4-acetylphenyl) 4-methylbenzoate, 4-acetylphenyl 4-methylbenzoate, 4-METHYL-BENZOIC ACID 4-ACETYL-PHENYL 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 | 594.8961 |
Chemical Identifiers
| CAS Number | 72734-78-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C(=O)C |
Product Overview
4-Methyl-benzoic acid 4-acetyl-phenyl ester (CAS 72734-78-2), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (4-acetylphenyl) 4-methylbenzoate.
Chemical Property Profile of 4-Methyl-benzoic acid 4-acetyl-phenyl ester
Property Insights of 4-Methyl-benzoic acid 4-acetyl-phenyl ester
The XLogP value of 3.41682 indicates that 4-Methyl-benzoic acid 4-acetyl-phenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.37 Ų, 4-Methyl-benzoic acid 4-acetyl-phenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-benzoic acid 4-acetyl-phenyl ester 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 4-Methyl-benzoic acid 4-acetyl-phenyl ester?
The CAS number of 4-Methyl-benzoic acid 4-acetyl-phenyl ester is 72734-78-2.
What is the molecular formula of 4-Methyl-benzoic acid 4-acetyl-phenyl ester?
The molecular formula of 4-Methyl-benzoic acid 4-acetyl-phenyl ester is C16H14O3.
What is the molecular weight of 4-Methyl-benzoic acid 4-acetyl-phenyl ester?
The molecular weight of 4-Methyl-benzoic acid 4-acetyl-phenyl ester is 254.09 g/mol.
Where can I buy 4-Methyl-benzoic acid 4-acetyl-phenyl ester?
You can request a quote for 4-Methyl-benzoic acid 4-acetyl-phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Methyl-benzoic acid 4-acetyl-phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-benzoic acid 4-acetyl-phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.