Benzoic acid m-chlorophenyl ester
TL;DR: Benzoic acid m-chlorophenyl ester (CAS 1531-80-2) is a chemical compound with molecular formula C13H9ClO2 and molecular weight 232.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl) benzoate
Also Known As: 3-Chlorophenyl benzoate, (3-chlorophenyl) benzoate, Benzoic acid m-chlorophenyl ester, Benzoic acid, m-chlorophenyl ester, Benzoic acid, 3-chlorophenyl ester
| Molecular Formula | C13H9ClO2 |
|---|---|
| Molecular Weight | 232.03 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 232.02911 |
| Heavy Atoms | 16 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 1531-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC(=CC=C2)Cl |
| InChIKey | PMARQWWQXBASSZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzoic acid m-chlorophenyl ester (CAS 1531-80-2), with molecular formula C13H9ClO2 and molecular weight 232.03 g/mol. IUPAC: (3-chlorophenyl) benzoate.
Chemical Property Profile of Benzoic acid m-chlorophenyl ester
Property Insights of Benzoic acid m-chlorophenyl ester
The XLogP value of 4.2 indicates that Benzoic acid m-chlorophenyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid m-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid m-chlorophenyl ester has 0 hydrogen bond donor(s) and 2 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 m-chlorophenyl ester?
The CAS number of Benzoic acid m-chlorophenyl ester is 1531-80-2.
What is the molecular formula of Benzoic acid m-chlorophenyl ester?
The molecular formula of Benzoic acid m-chlorophenyl ester is C13H9ClO2.
What is the molecular weight of Benzoic acid m-chlorophenyl ester?
The molecular weight of Benzoic acid m-chlorophenyl ester is 232.03 g/mol.
Where can I buy Benzoic acid m-chlorophenyl ester?
You can request a quote for Benzoic acid m-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 m-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid m-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.