Ethyl 4-chlorobenzoate
TL;DR: Ethyl 4-chlorobenzoate (CAS 7335-27-5) 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 4-chlorobenzoate
Also Known As: Ethyl 4-chlorobenzoate, Ethyl p-chlorobenzoate, Ethyl-4-chlorobenzoate, Benzoic acid, 4-chloro-, ethyl ester, Tazarotene Impurity 2
| Molecular Formula | C9H9ClO2 |
|---|---|
| Molecular Weight | 184.03 g/mol |
| LogP | 3.5 |
| 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 | 151.0 |
Chemical Identifiers
| CAS Number | 7335-27-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)Cl |
| InChIKey | RWBYCMPOFNRISR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 4-chlorobenzoate (CAS 7335-27-5), with molecular formula C9H9ClO2 and molecular weight 184.03 g/mol. IUPAC: ethyl 4-chlorobenzoate.
Chemical Property Profile of Ethyl 4-chlorobenzoate
Property Insights of Ethyl 4-chlorobenzoate
The XLogP value of 3.5 indicates that Ethyl 4-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, Ethyl 4-chlorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-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 4-chlorobenzoate?
The CAS number of Ethyl 4-chlorobenzoate is 7335-27-5.
What is the molecular formula of Ethyl 4-chlorobenzoate?
The molecular formula of Ethyl 4-chlorobenzoate is C9H9ClO2.
What is the molecular weight of Ethyl 4-chlorobenzoate?
The molecular weight of Ethyl 4-chlorobenzoate is 184.03 g/mol.
Where can I buy Ethyl 4-chlorobenzoate?
You can request a quote for Ethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.