Benzyl 2-chlorobenzoate
TL;DR: Benzyl 2-chlorobenzoate (CAS 7579-40-0) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl 2-chlorobenzoate
Also Known As: Benzyl 2-chlorobenzoate, Benzyl 2-chlorobenzoate #, phenylmethyl 2-chlorobenzoate, 2-Chlorobenzoic acid, benzyl ester, 2-Chlorobenzoic acid benzyl ester
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 7579-40-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CC=CC=C2Cl |
| InChIKey | IJIVXOPMPSQRSF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl 2-chlorobenzoate (CAS 7579-40-0), with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol. IUPAC: benzyl 2-chlorobenzoate.
Chemical Property Profile of Benzyl 2-chlorobenzoate
Property Insights of Benzyl 2-chlorobenzoate
The XLogP value of 3.9 indicates that Benzyl 2-chlorobenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Benzyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 2-chlorobenzoate 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 Benzyl 2-chlorobenzoate?
The CAS number of Benzyl 2-chlorobenzoate is 7579-40-0.
What is the molecular formula of Benzyl 2-chlorobenzoate?
The molecular formula of Benzyl 2-chlorobenzoate is C14H11ClO2.
What is the molecular weight of Benzyl 2-chlorobenzoate?
The molecular weight of Benzyl 2-chlorobenzoate is 246.04 g/mol.
Where can I buy Benzyl 2-chlorobenzoate?
You can request a quote for Benzyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.