![methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate structure](/static/products/3384/338417-55-3.webp)
methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate
TL;DR: methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate (CAS 338417-55-3) is a chemical compound with molecular formula C19H13Cl2FN2O3 and molecular weight 406.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[2-(4-chloroanilino)ethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carboxylate
Also Known As: methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate, Methyl 3-(2-chloro-6-fluoro-phenyl)-5-[2-[(4-chlorophenyl)amino]ethenyl]-1,2-oxazole-4-carboxylate, methyl 5-[2-(4-chloroanilino)ethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carboxylate
| Molecular Formula | C19H13Cl2FN2O3 |
|---|---|
| Molecular Weight | 406.03 g/mol |
| LogP | 5.6569 |
| Topological Polar Surface Area | 64.36 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 406.02872 |
| Heavy Atoms | 27 |
| Complexity | 980.4394 |
Chemical Identifiers
| CAS Number | 338417-55-3 |
|---|---|
| SMILES | COC(=O)C1=C(ON=C1C2=C(C=CC=C2Cl)F)C=CNC3=CC=C(C=C3)Cl |
Product Overview
methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate (CAS 338417-55-3), with molecular formula C19H13Cl2FN2O3 and molecular weight 406.03 g/mol. IUPAC: methyl 5-[2-(4-chloroanilino)ethenyl]-3-(2-chloro-6-fluorophenyl)-1,2-oxazole-4-carboxylate.
Chemical Property Profile of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate
Property Insights of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate
The XLogP value of 5.6569 indicates that methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate. Following Lipinski's Rule of Five, methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate?
The CAS number of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate is 338417-55-3.
What is the molecular formula of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate?
The molecular formula of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate is C19H13Cl2FN2O3.
What is the molecular weight of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate?
The molecular weight of methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate is 406.03 g/mol.
Where can I buy methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate?
You can request a quote for methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[2-(4-chloroanilino)vinyl]-3-(2-chloro-6-fluorophenyl)-4-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.