3-Perfluorooctyl-5-phenylpyrazole
TL;DR: 3-Perfluorooctyl-5-phenylpyrazole (CAS 1029650-61-0) is a chemical compound with molecular formula C17H7F17N2 and molecular weight 562.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-phenyl-1H-pyrazole
Also Known As: 3-Perfluorooctyl-5-phenylpyrazole, 3(5)-Perfluorooctyl-5(3)-phenylpyrazole, 3-Perfluorooctyl-5-phenyl-1H-pyrazole, 3-(heptadecafluorooctyl)-5-phenyl-1H-pyrazole, 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-phenyl-1H-pyrazole
| Molecular Formula | C17H7F17N2 |
|---|---|
| Molecular Weight | 562.03 g/mol |
| LogP | 7.5426 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 562.03375 |
| Heavy Atoms | 36 |
| Complexity | 1068.3511 |
Chemical Identifiers
| CAS Number | 1029650-61-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2)C(C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F |
Product Overview
3-Perfluorooctyl-5-phenylpyrazole (CAS 1029650-61-0), with molecular formula C17H7F17N2 and molecular weight 562.03 g/mol. IUPAC: 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-3-phenyl-1H-pyrazole.
Chemical Property Profile of 3-Perfluorooctyl-5-phenylpyrazole
Property Insights of 3-Perfluorooctyl-5-phenylpyrazole
The XLogP value of 7.5426 indicates that 3-Perfluorooctyl-5-phenylpyrazole 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-Perfluorooctyl-5-phenylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Perfluorooctyl-5-phenylpyrazole 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-Perfluorooctyl-5-phenylpyrazole?
The CAS number of 3-Perfluorooctyl-5-phenylpyrazole is 1029650-61-0.
What is the molecular formula of 3-Perfluorooctyl-5-phenylpyrazole?
The molecular formula of 3-Perfluorooctyl-5-phenylpyrazole is C17H7F17N2.
What is the molecular weight of 3-Perfluorooctyl-5-phenylpyrazole?
The molecular weight of 3-Perfluorooctyl-5-phenylpyrazole is 562.03 g/mol.
Where can I buy 3-Perfluorooctyl-5-phenylpyrazole?
You can request a quote for 3-Perfluorooctyl-5-phenylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Perfluorooctyl-5-phenylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Perfluorooctyl-5-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.