3-(Perfluorohexyl)-5-phenyl-1H-pyrazole
TL;DR: 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole (CAS 736136-46-2) is a chemical compound with molecular formula C15H7F13N2 and molecular weight 462.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
Also Known As: 3-Perfluorohexyl-5-phenylpyrazole, 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole, 3(5)-Perfluorohexyl-5(3)-phenylpyrazole, 3-Perfluorohexyl-5-phenyl-1H-pyrazole, 3-(Tridecafluorohexyl)-5-phenyl-1H-pyrazole
| Molecular Formula | C15H7F13N2 |
|---|---|
| Molecular Weight | 462.04 g/mol |
| LogP | 6.272 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 462.04016 |
| Heavy Atoms | 30 |
| Complexity | 883.441 |
Chemical Identifiers
| CAS Number | 736136-46-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
3-(Perfluorohexyl)-5-phenyl-1H-pyrazole (CAS 736136-46-2), with molecular formula C15H7F13N2 and molecular weight 462.04 g/mol. IUPAC: 3-phenyl-5-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole.
Chemical Property Profile of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole
Property Insights of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole
The XLogP value of 6.272 indicates that 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 28.68 Ų, 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole?
The CAS number of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole is 736136-46-2.
What is the molecular formula of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole?
The molecular formula of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole is C15H7F13N2.
What is the molecular weight of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole?
The molecular weight of 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole is 462.04 g/mol.
Where can I buy 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole?
You can request a quote for 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Perfluorohexyl)-5-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.