ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
TL;DR: ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 648409-97-6) is a chemical compound with molecular formula C10H6Cl3F3N2O3 and molecular weight 363.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-(2,3,3-trichloroprop-2-enoyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, ethyl 1-(2,3,3-trichloroprop-2-enoyl)-3-(trifluoromethyl)pyrazole-4-carboxylate, ethyl 1-(trichloroprop-2-enoyl)-3-(trifluoromethyl)pyrazole-4-carboxylate
| Molecular Formula | C10H6Cl3F3N2O3 |
|---|---|
| Molecular Weight | 363.94 g/mol |
| LogP | 3.6043 |
| Topological Polar Surface Area | 61.19 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 363.9396 |
| Heavy Atoms | 21 |
| Complexity | 606.4245 |
Chemical Identifiers
| CAS Number | 648409-97-6 |
|---|---|
| SMILES | CCOC(=O)C1=CN(N=C1C(F)(F)F)C(=O)C(=C(Cl)Cl)Cl |
Product Overview
ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 648409-97-6), with molecular formula C10H6Cl3F3N2O3 and molecular weight 363.94 g/mol. IUPAC: ethyl 1-(2,3,3-trichloroprop-2-enoyl)-3-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Property Insights of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
The XLogP value of 3.6043 indicates that ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate 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 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate. Following Lipinski's Rule of Five, ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate 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 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The CAS number of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 648409-97-6.
What is the molecular formula of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular formula of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is C10H6Cl3F3N2O3.
What is the molecular weight of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular weight of ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 363.94 g/mol.
Where can I buy ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
You can request a quote for ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 1-(2,3,3-trichloroacryloyl)-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.