Benzoic acid, 4-chloro-, 3-chlorophenyl ester
TL;DR: Benzoic acid, 4-chloro-, 3-chlorophenyl ester (CAS 17459-75-5) is a chemical compound with molecular formula C13H8Cl2O2 and molecular weight 265.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-chlorophenyl) 4-chlorobenzoate
Also Known As: (3-chlorophenyl) 4-chlorobenzoate, 3-chlorophenyl 4-chlorobenzoate, Benzoic acid, 4-chloro-, 3-chlorophenyl ester
| Molecular Formula | C13H8Cl2O2 |
|---|---|
| Molecular Weight | 265.99 g/mol |
| LogP | 4.2126 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 265.99014 |
| Heavy Atoms | 17 |
| Complexity | 535.37067 |
Chemical Identifiers
| CAS Number | 17459-75-5 |
|---|---|
| SMILES | C1=CC(=CC(=C1)Cl)OC(=O)C2=CC=C(C=C2)Cl |
Product Overview
Benzoic acid, 4-chloro-, 3-chlorophenyl ester (CAS 17459-75-5), with molecular formula C13H8Cl2O2 and molecular weight 265.99 g/mol. IUPAC: (3-chlorophenyl) 4-chlorobenzoate.
Chemical Property Profile of Benzoic acid, 4-chloro-, 3-chlorophenyl ester
Property Insights of Benzoic acid, 4-chloro-, 3-chlorophenyl ester
The XLogP value of 4.2126 indicates that Benzoic acid, 4-chloro-, 3-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, 4-chloro-, 3-chlorophenyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 4-chloro-, 3-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, 4-chloro-, 3-chlorophenyl ester?
The CAS number of Benzoic acid, 4-chloro-, 3-chlorophenyl ester is 17459-75-5.
What is the molecular formula of Benzoic acid, 4-chloro-, 3-chlorophenyl ester?
The molecular formula of Benzoic acid, 4-chloro-, 3-chlorophenyl ester is C13H8Cl2O2.
What is the molecular weight of Benzoic acid, 4-chloro-, 3-chlorophenyl ester?
The molecular weight of Benzoic acid, 4-chloro-, 3-chlorophenyl ester is 265.99 g/mol.
Where can I buy Benzoic acid, 4-chloro-, 3-chlorophenyl ester?
You can request a quote for Benzoic acid, 4-chloro-, 3-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, 4-chloro-, 3-chlorophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 4-chloro-, 3-chlorophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.