![ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate structure](/static/products/956/956438-46-3.png)
ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate
TL;DR: ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate (CAS 956438-46-3) is a chemical compound with molecular formula C16H15F3N2O3 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate
Also Known As: ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate, AB00743851-01, Ethyl (3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1h-pyrazol-4-yl)(oxo)acetate, ethyl {3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}(oxo)acetate, ethyl 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate
| Molecular Formula | C16H15F3N2O3 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 3.25374 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.1035 |
| Heavy Atoms | 24 |
| Complexity | 794.3507 |
Chemical Identifiers
| CAS Number | 956438-46-3 |
|---|---|
| SMILES | CCOC(=O)C(=O)C1=C(N(N=C1C)C2=CC=CC(=C2)C(F)(F)F)C |
Product Overview
ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate (CAS 956438-46-3), with molecular formula C16H15F3N2O3 and molecular weight 340.10 g/mol. IUPAC: ethyl 2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-2-oxoacetate.
Chemical Property Profile of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate
Property Insights of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate
The XLogP value of 3.25374 indicates that ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate. Following Lipinski's Rule of Five, ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate has 0 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 ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate?
The CAS number of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate is 956438-46-3.
What is the molecular formula of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate?
The molecular formula of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate is C16H15F3N2O3.
What is the molecular weight of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate?
The molecular weight of ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate is 340.10 g/mol.
Where can I buy ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate?
You can request a quote for ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-{3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-4-yl}-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.