3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole
TL;DR: 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole (CAS 231630-88-9) is a chemical compound with molecular formula C20HF35N2O and molecular weight 949.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
Also Known As: 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole, 3,5-BIS(PERFLUOROHEXYL)-1-(NONAFLUOROPENTANOYL)-PYRAZOLE, 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one, 1-Pentanone, 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoro-, 1-[3,5-bis(tridecafluorohexyl)pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one
| Molecular Formula | C20HF35N2O |
|---|---|
| Molecular Weight | 949.95 g/mol |
| LogP | 11.3821 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 13 |
| Exact Mass | 949.953 |
| Heavy Atoms | 58 |
| Complexity | 1698.237 |
Chemical Identifiers
| CAS Number | 231630-88-9 |
|---|---|
| SMILES | C1=C(N(N=C1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole (CAS 231630-88-9), with molecular formula C20HF35N2O and molecular weight 949.95 g/mol. IUPAC: 1-[3,5-bis(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)pyrazol-1-yl]-2,2,3,3,4,4,5,5,5-nonafluoropentan-1-one.
Chemical Property Profile of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole
Property Insights of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole
The XLogP value of 11.3821 indicates that 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-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, 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-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 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole?
The CAS number of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole is 231630-88-9.
What is the molecular formula of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole?
The molecular formula of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole is C20HF35N2O.
What is the molecular weight of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole?
The molecular weight of 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole is 949.95 g/mol.
Where can I buy 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole?
You can request a quote for 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Bis(perfluorohexyl)-1-(nonafluoropentanoyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.