Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
TL;DR: Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate (CAS 159693-06-8) is a chemical compound with molecular formula C12H10FNO3 and molecular weight 235.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
Also Known As: 3-(4-Fluorophenyl)-4-isoxazolecarboxylic acid ethyl ester, Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate, Ethyl 3-(4-Fluorophenyl)isoxazole-4-carboxylate, 3-(4-Fluoro-phenyl)-isoxazole-4-carboxylic acid ethyl ester, AB00089223-01
| Molecular Formula | C12H10FNO3 |
|---|---|
| Molecular Weight | 235.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 235.06447 |
| Heavy Atoms | 17 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 159693-06-8 |
|---|---|
| SMILES | CCOC(=O)C1=CON=C1C2=CC=C(C=C2)F |
| InChIKey | NECCSPHHKVUNMI-UHFFFAOYSA-N |
Product Overview
Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate (CAS 159693-06-8), with molecular formula C12H10FNO3 and molecular weight 235.06 g/mol. IUPAC: ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
Property Insights of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate. With a topological polar surface area (TPSA) of 52.3 Ų, Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate has 0 hydrogen bond donor(s) and 5 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-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
The CAS number of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate is 159693-06-8.
What is the molecular formula of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
The molecular formula of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate is C12H10FNO3.
What is the molecular weight of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
The molecular weight of Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate is 235.06 g/mol.
Where can I buy Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
You can request a quote for Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(4-fluorophenyl)-1,2-oxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.