Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester
TL;DR: Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester (CAS 88952-02-7) is a chemical compound with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-acetyl-4-chlorophenyl) 2-methylbenzoate
Also Known As: 2-acetyl-4-chlorophenyl 2-methylbenzoate, Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester, (2-acetyl-4-chlorophenyl) 2-methylbenzoate, 2-acetyl-4-chlorophenyl2-methylbenzoate, (2-acetyl-4-chloro-phenyl) 2-methylbenzoate
| Molecular Formula | C16H13ClO3 |
|---|---|
| Molecular Weight | 288.06 g/mol |
| LogP | 4.07022 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 288.05533 |
| Heavy Atoms | 20 |
| Complexity | 677.17224 |
Chemical Identifiers
| CAS Number | 88952-02-7 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=C(C=C(C=C2)Cl)C(=O)C |
Product Overview
Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester (CAS 88952-02-7), with molecular formula C16H13ClO3 and molecular weight 288.06 g/mol. IUPAC: (2-acetyl-4-chlorophenyl) 2-methylbenzoate.
Chemical Property Profile of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester
Property Insights of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester
The XLogP value of 4.07022 indicates that Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl 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, Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl 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 Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester?
The CAS number of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester is 88952-02-7.
What is the molecular formula of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester?
The molecular formula of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester is C16H13ClO3.
What is the molecular weight of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester?
The molecular weight of Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester is 288.06 g/mol.
Where can I buy Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester?
You can request a quote for Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-methyl-, 2-acetyl-4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.