3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
TL;DR: 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole (CAS 129257-23-4) is a chemical compound with molecular formula C10H5F13N2 and molecular weight 400.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole
Also Known As: 3-Methyl-5-(perfluorohexyl)pyrazole, 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole, 3-methyl-5-tridecafluorohexylpyrazole, 5-Methyl-3-(perfluorohexyl)pyrazole, 5(3)-Methyl-3(5)-(perfluorohexyl)pyrazole
| Molecular Formula | C10H5F13N2 |
|---|---|
| Molecular Weight | 400.02 g/mol |
| LogP | 4.91342 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 400.0245 |
| Heavy Atoms | 25 |
| Complexity | 626.9994 |
Chemical Identifiers
| CAS Number | 129257-23-4 |
|---|---|
| SMILES | CC1=CC(=NN1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole (CAS 129257-23-4), with molecular formula C10H5F13N2 and molecular weight 400.02 g/mol. IUPAC: 5-methyl-3-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrazole.
Chemical Property Profile of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
Property Insights of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole
The XLogP value of 4.91342 indicates that 3-(Perfluoro-1-hexyl)-5-(methyl)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-(Perfluoro-1-hexyl)-5-(methyl)pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole?
The CAS number of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole is 129257-23-4.
What is the molecular formula of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole?
The molecular formula of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole is C10H5F13N2.
What is the molecular weight of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole?
The molecular weight of 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole is 400.02 g/mol.
Where can I buy 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole?
You can request a quote for 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Perfluoro-1-hexyl)-5-(methyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.