4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole
TL;DR: 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole (CAS 1029636-59-6) is a chemical compound with molecular formula C17H6F17N3O2 and molecular weight 607.02 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)-4-nitro-3-phenyl-1H-pyrazole
Also Known As: 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole, 3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-5-phenyl-2H-pyrazole, 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-3-phenyl-1H-pyrazole
| Molecular Formula | C17H6F17N3O2 |
|---|---|
| Molecular Weight | 607.02 g/mol |
| LogP | 7.4508 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 607.01886 |
| Heavy Atoms | 39 |
| Complexity | 1220.7738 |
Chemical Identifiers
| CAS Number | 1029636-59-6 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2[N+](=O)[O-])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
4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole (CAS 1029636-59-6), with molecular formula C17H6F17N3O2 and molecular weight 607.02 g/mol. IUPAC: 5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-4-nitro-3-phenyl-1H-pyrazole.
Chemical Property Profile of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole
Property Insights of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole
The XLogP value of 7.4508 indicates that 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole. Following Lipinski's Rule of Five, 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
The CAS number of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is 1029636-59-6.
What is the molecular formula of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
The molecular formula of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is C17H6F17N3O2.
What is the molecular weight of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
The molecular weight of 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole is 607.02 g/mol.
Where can I buy 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
You can request a quote for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-3-perfluorooctyl-5-phenyl-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.