2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate
TL;DR: 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate (CAS 956779-13-8) is a chemical compound with molecular formula C21H15ClF3N3O3 and molecular weight 449.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate
Also Known As: 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate, [2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate, 2-[(2,4-Difluorophenyl)amino]-2-oxoethyl (2E)-3-[5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl]-2-propenoate
| Molecular Formula | C21H15ClF3N3O3 |
|---|---|
| Molecular Weight | 449.08 g/mol |
| LogP | 4.44652 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 449.0754 |
| Heavy Atoms | 31 |
| Complexity | 1160.6669 |
Chemical Identifiers
| CAS Number | 956779-13-8 |
|---|---|
| SMILES | CC1=NN(C(=C1/C=C/C(=O)OCC(=O)NC2=C(C=C(C=C2)F)F)Cl)C3=CC=C(C=C3)F |
Product Overview
2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate (CAS 956779-13-8), with molecular formula C21H15ClF3N3O3 and molecular weight 449.08 g/mol. IUPAC: [2-(2,4-difluoroanilino)-2-oxoethyl] (E)-3-[5-chloro-1-(4-fluorophenyl)-3-methylpyrazol-4-yl]prop-2-enoate.
Chemical Property Profile of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate
Property Insights of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate
The XLogP value of 4.44652 indicates that 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate. Following Lipinski's Rule of Five, 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate has 1 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 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate?
The CAS number of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate is 956779-13-8.
What is the molecular formula of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate?
The molecular formula of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate is C21H15ClF3N3O3.
What is the molecular weight of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate?
The molecular weight of 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate is 449.08 g/mol.
Where can I buy 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate?
You can request a quote for 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,4-Difluorophenyl)amino)-2-oxoethyl (E)-3-(5-chloro-1-(4-fluorophenyl)-3-methyl-1H-pyrazol-4-yl)acrylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.