Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester
TL;DR: Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester (CAS 55282-11-6) is a chemical compound with molecular formula C15H11ClO3 and molecular weight 274.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenacyl 4-chlorobenzoate
Also Known As: phenacyl 4-chlorobenzoate, 2-Oxo-2-phenylethyl 4-chlorobenzoate, 4-Chlorobenzoic acid phenacyl ester, Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester, 2-oxo-2-phenylethyl-4-chlorobenzoate
| Molecular Formula | C15H11ClO3 |
|---|---|
| Molecular Weight | 274.04 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 274.03967 |
| Heavy Atoms | 19 |
| Complexity | 315.0 |
Chemical Identifiers
| CAS Number | 55282-11-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)COC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | NVTQPWOXSGWFES-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester (CAS 55282-11-6), with molecular formula C15H11ClO3 and molecular weight 274.04 g/mol. IUPAC: phenacyl 4-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester
Property Insights of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester
The XLogP value of 3.8 indicates that Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl 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, 4-chloro-, 2-oxo-2-phenylethyl ester?
The CAS number of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester is 55282-11-6.
What is the molecular formula of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester?
The molecular formula of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester is C15H11ClO3.
What is the molecular weight of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester?
The molecular weight of Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester is 274.04 g/mol.
Where can I buy Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester?
You can request a quote for Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl 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, 4-chloro-, 2-oxo-2-phenylethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-, 2-oxo-2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.