1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole
TL;DR: 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole (CAS 959581-06-7) is a chemical compound with molecular formula C12HF19N2O and molecular weight 549.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2,3,3,4,4,4-heptafluoro-1-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)pyrazol-1-yl]butan-1-one
Also Known As: 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole, 2,2,3,3,4,4,4-heptafluoro-1-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)pyrazol-1-yl]butan-1-one, 2,2,3,3,4,4,4-heptafluoro-1-[3-(nonafluorobutyl)-5-(trifluoromethyl)pyrazol-1-yl]butan-1-one
| Molecular Formula | C12HF19N2O |
|---|---|
| Molecular Weight | 549.98 g/mol |
| LogP | 6.2997 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 549.9786 |
| Heavy Atoms | 34 |
| Complexity | 930.5491 |
Chemical Identifiers
| CAS Number | 959581-06-7 |
|---|---|
| SMILES | C1=C(N(N=C1C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)C(=O)C(C(C(F)(F)F)(F)F)(F)F)C(F)(F)F |
Product Overview
1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole (CAS 959581-06-7), with molecular formula C12HF19N2O and molecular weight 549.98 g/mol. IUPAC: 2,2,3,3,4,4,4-heptafluoro-1-[3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-5-(trifluoromethyl)pyrazol-1-yl]butan-1-one.
Chemical Property Profile of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole
Property Insights of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole
The XLogP value of 6.2997 indicates that 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-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-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-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-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole?
The CAS number of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole is 959581-06-7.
What is the molecular formula of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole?
The molecular formula of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole is C12HF19N2O.
What is the molecular weight of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole?
The molecular weight of 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole is 549.98 g/mol.
Where can I buy 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole?
You can request a quote for 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-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-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(Heptafluorobutyryl)-3(5)-(nonafluorobutyl)-5(3)-(trifluoromethyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.