1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole
TL;DR: 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole (CAS 808764-36-5) is a chemical compound with molecular formula C12H4F16N2O and molecular weight 496.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone
Also Known As: 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole, 1-Acetyl-3-(perfluorohexyl)-5-(trifluoromethyl)-1H-pyrazole, 1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone, 1-ACETYL-3-(PERFLUOROHEXYL)-5-(TRIFLUOROMETHYL)PYRAZOLE, 1-(3-(Perfluorohexyl)-5-(trifluoromethyl)-1H-pyrazol-1-yl)ethan-1-one
| Molecular Formula | C12H4F16N2O |
|---|---|
| Molecular Weight | 496.01 g/mol |
| LogP | 5.7573 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 496.0068 |
| Heavy Atoms | 31 |
| Complexity | 845.7608 |
Chemical Identifiers
| CAS Number | 808764-36-5 |
|---|---|
| SMILES | CC(=O)N1C(=CC(=N1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(F)(F)F |
Product Overview
1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole (CAS 808764-36-5), with molecular formula C12H4F16N2O and molecular weight 496.01 g/mol. IUPAC: 1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole
Property Insights of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole
The XLogP value of 5.7573 indicates that 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole?
The CAS number of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole is 808764-36-5.
What is the molecular formula of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole?
The molecular formula of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole is C12H4F16N2O.
What is the molecular weight of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole?
The molecular weight of 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole is 496.01 g/mol.
Where can I buy 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole?
You can request a quote for 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3(5)-perfluorohexyl-5(3)-(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.