Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate
TL;DR: Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate (CAS 477888-06-5) is a chemical compound with molecular formula C14H13ClFNO3 and molecular weight 297.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-chloro-6-fluorophenyl)-2-(1,2-oxazol-5-yl)propanoate
Also Known As: ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate, ethyl 3-(2-chloro-6-fluorophenyl)-2-(1,2-oxazol-5-yl)propanoate, ethyl 3-(2-chloro-6-fluoro-phenyl)-2-isoxazol-5-yl-propanoate, ethyl3-(2-chloro-6-fluorophenyl)-2-(1,2-oxazol-5-yl)propanoate
| Molecular Formula | C14H13ClFNO3 |
|---|---|
| Molecular Weight | 297.06 g/mol |
| LogP | 3.3565 |
| Topological Polar Surface Area | 52.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 297.0568 |
| Heavy Atoms | 20 |
| Complexity | 565.85986 |
Chemical Identifiers
| CAS Number | 477888-06-5 |
|---|---|
| SMILES | CCOC(=O)C(CC1=C(C=CC=C1Cl)F)C2=CC=NO2 |
Product Overview
Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate (CAS 477888-06-5), with molecular formula C14H13ClFNO3 and molecular weight 297.06 g/mol. IUPAC: ethyl 3-(2-chloro-6-fluorophenyl)-2-(1,2-oxazol-5-yl)propanoate.
Chemical Property Profile of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate
Property Insights of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate
The XLogP value of 3.3565 indicates that Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.33 Ų, Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate has 0 hydrogen bond donor(s) and 4 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 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate?
The CAS number of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate is 477888-06-5.
What is the molecular formula of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate?
The molecular formula of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate is C14H13ClFNO3.
What is the molecular weight of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate?
The molecular weight of Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate is 297.06 g/mol.
Where can I buy Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate?
You can request a quote for Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(2-chloro-6-fluorophenyl)-2-(5-isoxazolyl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.