![2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate structure](/static/products/956/956374-52-0.png)
2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate
TL;DR: 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate (CAS 956374-52-0) is a chemical compound with molecular formula C15H13ClF3N3O3 and molecular weight 375.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate
Also Known As: 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate, [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate, 2-(3-Chloro-4-methylanilino)-2-oxoethyl [3-(trifluoromethyl)-1H-pyrazol-1-yl]acetate
| Molecular Formula | C15H13ClF3N3O3 |
|---|---|
| Molecular Weight | 375.06 g/mol |
| LogP | 3.04562 |
| Topological Polar Surface Area | 73.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 375.05975 |
| Heavy Atoms | 25 |
| Complexity | 789.81415 |
Chemical Identifiers
| CAS Number | 956374-52-0 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)COC(=O)CN2C=CC(=N2)C(F)(F)F)Cl |
Product Overview
2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate (CAS 956374-52-0), with molecular formula C15H13ClF3N3O3 and molecular weight 375.06 g/mol. IUPAC: [2-(3-chloro-4-methylanilino)-2-oxoethyl] 2-[3-(trifluoromethyl)pyrazol-1-yl]acetate.
Chemical Property Profile of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate
Property Insights of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate
The XLogP value of 3.04562 indicates that 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate 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-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate. Following Lipinski's Rule of Five, 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate 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-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate?
The CAS number of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate is 956374-52-0.
What is the molecular formula of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate?
The molecular formula of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate is C15H13ClF3N3O3.
What is the molecular weight of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate?
The molecular weight of 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate is 375.06 g/mol.
Where can I buy 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate?
You can request a quote for 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-Chloro-4-methylphenyl)amino]-2-oxoethyl 3-(trifluoromethyl)-1H-pyrazole-1-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.