Ethyl 2-chlorobenzoate
TL;DR: Ethyl 2-chlorobenzoate (CAS 7335-25-3) is a chemical compound with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-chlorobenzoate
Also Known As: Ethyl 2-chlorobenzoate, Ethyl O-chlorobenzoate, 2-Chlorobenzoic Acid Ethyl Ester, Ethyl-2-chlorobenzoate, Benzoic acid, 2-chloro-, ethyl ester
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 184.02911 |
| Heavy Atoms | 12 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 7335-25-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=CC=C1Cl |
| InChIKey | RETLCWPMLJPOTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-chlorobenzoate (CAS 7335-25-3), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: ethyl 2-chlorobenzoate.
Chemical Property Profile of Ethyl 2-chlorobenzoate
Property Insights of Ethyl 2-chlorobenzoate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-chlorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 2-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl 2-chlorobenzoate?
The CAS number of Ethyl 2-chlorobenzoate is 7335-25-3.
What is the molecular formula of Ethyl 2-chlorobenzoate?
The molecular formula of Ethyl 2-chlorobenzoate is C9H9ClO2.
What is the molecular weight of Ethyl 2-chlorobenzoate?
The molecular weight of Ethyl 2-chlorobenzoate is 184.03 g/mol.
Where can I buy Ethyl 2-chlorobenzoate?
You can request a quote for Ethyl 2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.