![methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate structure](/static/products/3384/338417-64-4.webp)
methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
TL;DR: methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate (CAS 338417-64-4) is a chemical compound with molecular formula C20H16ClFN2O4 and molecular weight 402.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)ethenyl]-1,2-oxazole-4-carboxylate
Also Known As: methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate, methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)ethenyl]-1,2-oxazole-4-carboxylate, GNF-Pf-1949
| Molecular Formula | C20H16ClFN2O4 |
|---|---|
| Molecular Weight | 402.08 g/mol |
| LogP | 5.0121 |
| Topological Polar Surface Area | 73.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 402.07828 |
| Heavy Atoms | 28 |
| Complexity | 995.2952 |
Chemical Identifiers
| CAS Number | 338417-64-4 |
|---|---|
| SMILES | COC1=CC=C(C=C1)NC=CC2=C(C(=NO2)C3=C(C=CC=C3Cl)F)C(=O)OC |
Product Overview
methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate (CAS 338417-64-4), with molecular formula C20H16ClFN2O4 and molecular weight 402.08 g/mol. IUPAC: methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)ethenyl]-1,2-oxazole-4-carboxylate.
Chemical Property Profile of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
Property Insights of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate
The XLogP value of 5.0121 indicates that methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.59 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate. Following Lipinski's Rule of Five, methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate?
The CAS number of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate is 338417-64-4.
What is the molecular formula of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate?
The molecular formula of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate is C20H16ClFN2O4.
What is the molecular weight of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate?
The molecular weight of methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate is 402.08 g/mol.
Where can I buy methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate?
You can request a quote for methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-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 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-(2-chloro-6-fluorophenyl)-5-[2-(4-methoxyanilino)vinyl]-4-isoxazolecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.