3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole
TL;DR: 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole (CAS 53580-21-5) is a chemical compound with molecular formula C16H6F16N2 and molecular weight 530.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazole
Also Known As: 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole, 1-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazole, 1-phenyl-3-(tridecafluorohexyl)-5-(trifluoromethyl)pyrazole
| Molecular Formula | C16H6F16N2 |
|---|---|
| Molecular Weight | 530.03 g/mol |
| LogP | 7.0864 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.0275 |
| Heavy Atoms | 34 |
| Complexity | 1015.8684 |
Chemical Identifiers
| CAS Number | 53580-21-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=CC(=N2)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
3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole (CAS 53580-21-5), with molecular formula C16H6F16N2 and molecular weight 530.03 g/mol. IUPAC: 1-phenyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-5-(trifluoromethyl)pyrazole.
Chemical Property Profile of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole
Property Insights of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole
The XLogP value of 7.0864 indicates that 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole has 0 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(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole?
The CAS number of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole is 53580-21-5.
What is the molecular formula of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole?
The molecular formula of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole is C16H6F16N2.
What is the molecular weight of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole?
The molecular weight of 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole is 530.03 g/mol.
Where can I buy 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole?
You can request a quote for 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)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)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3(5)-(Perfluoro-n-hexyl)-5(3)-trifluoromethyl-1-(phenyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.