Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester
TL;DR: Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester (CAS 52602-12-7) is a chemical compound with molecular formula C15H11ClO4 and molecular weight 290.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-chlorophenyl) 2-acetyloxybenzoate
Also Known As: 4-chlorophenyl 2-(acetyloxy)benzoate, (4-chlorophenyl) 2-acetyloxybenzoate, Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester, 2-[(4-chlorophenyl)oxycarbonyl]phenyl acetate
| Molecular Formula | C15H11ClO4 |
|---|---|
| Molecular Weight | 290.03 g/mol |
| LogP | 3.4845 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.03458 |
| Heavy Atoms | 20 |
| Complexity | 634.5767 |
Chemical Identifiers
| CAS Number | 52602-12-7 |
|---|---|
| SMILES | CC(=O)OC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)Cl |
Product Overview
Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester (CAS 52602-12-7), with molecular formula C15H11ClO4 and molecular weight 290.03 g/mol. IUPAC: (4-chlorophenyl) 2-acetyloxybenzoate.
Chemical Property Profile of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester
Property Insights of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester
The XLogP value of 3.4845 indicates that Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester has 0 hydrogen bond donor(s) and 4 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-(acetyloxy)-, 4-chlorophenyl ester?
The CAS number of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester is 52602-12-7.
What is the molecular formula of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester?
The molecular formula of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester is C15H11ClO4.
What is the molecular weight of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester?
The molecular weight of Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester is 290.03 g/mol.
Where can I buy Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester?
You can request a quote for Benzoic acid, 2-(acetyloxy)-, 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-(acetyloxy)-, 4-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-(acetyloxy)-, 4-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.