3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
TL;DR: 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 320423-23-2) is a chemical compound with molecular formula C13H8F6N2O2 and molecular weight 338.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[3-(trifluoromethyl)phenyl] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
Also Known As: 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate, 12M-331S, [3-(trifluoromethyl)phenyl] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate
| Molecular Formula | C13H8F6N2O2 |
|---|---|
| Molecular Weight | 338.05 g/mol |
| LogP | 3.6769 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 338.049 |
| Heavy Atoms | 23 |
| Complexity | 732.79645 |
Chemical Identifiers
| CAS Number | 320423-23-2 |
|---|---|
| SMILES | CN1C=C(C(=N1)C(F)(F)F)C(=O)OC2=CC=CC(=C2)C(F)(F)F |
Product Overview
3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate (CAS 320423-23-2), with molecular formula C13H8F6N2O2 and molecular weight 338.05 g/mol. IUPAC: [3-(trifluoromethyl)phenyl] 1-methyl-3-(trifluoromethyl)pyrazole-4-carboxylate.
Chemical Property Profile of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
Property Insights of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate
The XLogP value of 3.6769 indicates that 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.12 Ų, 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate has 0 hydrogen bond donor(s) and 3 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 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The CAS number of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 320423-23-2.
What is the molecular formula of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular formula of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is C13H8F6N2O2.
What is the molecular weight of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
The molecular weight of 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate is 338.05 g/mol.
Where can I buy 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
You can request a quote for 3-(trifluoromethyl)phenyl 1-methyl-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 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-(trifluoromethyl)phenyl 1-methyl-3-(trifluoromethyl)-1H-pyrazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.