Benzoic acid, 2-chloro-4-fluoro-, ethyl ester
TL;DR: Benzoic acid, 2-chloro-4-fluoro-, ethyl ester (CAS 167758-87-4) 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 2-chloro-4-fluorobenzoate
Also Known As: Ethyl 2-chloro-4-fluorobenzoate, Benzoic acid, 2-chloro-4-fluoro-, ethyl ester, Ethyl 2-chloro-4-fluoro-benzoate, Ethyl2-chloro-4-fluorobenzoate, 2-chloro-4-fluoro-benzoic acid ethyl ester
| 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 | 167758-87-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(C=C(C=C1)F)Cl |
Product Overview
Benzoic acid, 2-chloro-4-fluoro-, ethyl ester (CAS 167758-87-4), with molecular formula C9H8ClFO2 and molecular weight 202.02 g/mol. IUPAC: ethyl 2-chloro-4-fluorobenzoate.
Chemical Property Profile of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester
Property Insights of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester
The XLogP value of 2.6558 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 2-chloro-4-fluoro-, ethyl ester. With a topological polar surface area (TPSA) of 26.3 Ų, Benzoic acid, 2-chloro-4-fluoro-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzoic acid, 2-chloro-4-fluoro-, ethyl 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, 2-chloro-4-fluoro-, ethyl ester?
The CAS number of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester is 167758-87-4.
What is the molecular formula of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester?
The molecular formula of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester is C9H8ClFO2.
What is the molecular weight of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester?
The molecular weight of Benzoic acid, 2-chloro-4-fluoro-, ethyl ester is 202.02 g/mol.
Where can I buy Benzoic acid, 2-chloro-4-fluoro-, ethyl ester?
You can request a quote for Benzoic acid, 2-chloro-4-fluoro-, ethyl 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, 2-chloro-4-fluoro-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-chloro-4-fluoro-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.