Ethyl 4-chloro-2-fluorobenzoate
TL;DR: Ethyl 4-chloro-2-fluorobenzoate (CAS 4793-20-8) is a chemical compound with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-chloro-2-fluorobenzoate
Also Known As: ethyl 4-chloro-2-fluorobenzoate, Ethyl-4-chloro-2-fluorobenzoate, RARECHEM AL BI 0387, Ethyl 2-fluoro-4-chlorobenzoate, ethyl 4-chloro-2-fluoro-benzoate
| Molecular Formula | C9H8ClFO2 |
|---|---|
| Molecular Weight | 202.02 g/mol |
| LogP | 2.6558 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.01968 |
| Heavy Atoms | 13 |
| Complexity | 325.39078 |
Chemical Identifiers
| CAS Number | 4793-20-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)Cl)F |
Product Overview
Ethyl 4-chloro-2-fluorobenzoate (CAS 4793-20-8), with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol. IUPAC: ethyl 4-chloro-2-fluorobenzoate.
Chemical Property Profile of Ethyl 4-chloro-2-fluorobenzoate
Property Insights of Ethyl 4-chloro-2-fluorobenzoate
The XLogP value of 2.6558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-chloro-2-fluorobenzoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl 4-chloro-2-fluorobenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-chloro-2-fluorobenzoate 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-chloro-2-fluorobenzoate?
The CAS number of Ethyl 4-chloro-2-fluorobenzoate is 4793-20-8.
What is the molecular formula of Ethyl 4-chloro-2-fluorobenzoate?
The molecular formula of Ethyl 4-chloro-2-fluorobenzoate is C9H8ClFO2.
What is the molecular weight of Ethyl 4-chloro-2-fluorobenzoate?
The molecular weight of Ethyl 4-chloro-2-fluorobenzoate is 202.02 g/mol.
Where can I buy Ethyl 4-chloro-2-fluorobenzoate?
You can request a quote for Ethyl 4-chloro-2-fluorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-chloro-2-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-chloro-2-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.