4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole
TL;DR: 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole (CAS 1029636-05-2) is a chemical compound with molecular formula C17H6ClF17N2 and molecular weight 595.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-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: 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole, 4-Chloro-3-perfluorooctyl-5-phenylpyrazole, 4-Chloro-3(5)-perfluorooctyl-5(3)-phenylpyrazole, 4-Chloro-3-perfluorooctyl-5-phenyl-1H-pyrazole, 4-chloro-3-(heptadecafluorooctyl)-5-phenyl-1H-pyrazole
| Molecular Formula | C17H6ClF17N2 |
|---|---|
| Molecular Weight | 595.99 g/mol |
| LogP | 8.196 |
| Topological Polar Surface Area | 28.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 595.9948 |
| Heavy Atoms | 37 |
| Complexity | 1120.5793 |
Chemical Identifiers
| CAS Number | 1029636-05-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=C2Cl)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-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole (CAS 1029636-05-2), with molecular formula C17H6ClF17N2 and molecular weight 595.99 g/mol. IUPAC: 4-chloro-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 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole
Property Insights of 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole
The XLogP value of 8.196 indicates that 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-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, 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole 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 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole?
The CAS number of 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole is 1029636-05-2.
What is the molecular formula of 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole?
The molecular formula of 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole is C17H6ClF17N2.
What is the molecular weight of 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole?
The molecular weight of 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole is 595.99 g/mol.
Where can I buy 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole?
You can request a quote for 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-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-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenyl-1h-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.