ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
TL;DR: ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate (CAS 371957-96-9) is a chemical compound with molecular formula C21H19ClF3N3O3 and molecular weight 453.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(2-chloroanilino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanoate
Also Known As: ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate, ethyl 2-(2-chloroanilino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanoate, ethyl 2-[(2-chlorophenyl)amino]-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
| Molecular Formula | C21H19ClF3N3O3 |
|---|---|
| Molecular Weight | 453.11 g/mol |
| LogP | 4.655 |
| Topological Polar Surface Area | 71.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.1067 |
| Heavy Atoms | 31 |
| Complexity | 1013.6747 |
Chemical Identifiers
| CAS Number | 371957-96-9 |
|---|---|
| SMILES | CCOC(=O)C(C1C(=NN(C1=O)C2=CC=CC=C2)C)(C(F)(F)F)NC3=CC=CC=C3Cl |
Product Overview
ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate (CAS 371957-96-9), with molecular formula C21H19ClF3N3O3 and molecular weight 453.11 g/mol. IUPAC: ethyl 2-(2-chloroanilino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4H-pyrazol-4-yl)propanoate.
Chemical Property Profile of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
Property Insights of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate
The XLogP value of 4.655 indicates that ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate. Following Lipinski's Rule of Five, ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate has 1 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 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate?
The CAS number of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate is 371957-96-9.
What is the molecular formula of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate?
The molecular formula of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate is C21H19ClF3N3O3.
What is the molecular weight of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate?
The molecular weight of ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate is 453.11 g/mol.
Where can I buy ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate?
You can request a quote for ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((2-chlorophenyl)amino)-3,3,3-trifluoro-2-(3-methyl-5-oxo-1-phenyl-4,5-dihydro-1H-pyrazol-4-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.