1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole
TL;DR: 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole (CAS 959583-89-2) is a chemical compound with molecular formula C19H9F17N2O and molecular weight 604.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenylpyrazol-1-yl]ethanone
Also Known As: Not Available, 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole, 1-Acetyl-3-perfluorooctyl-5-phenylpyrazole, 1-Acetyl-3-perfluorooctyl-5-phenyl-1H-pyrazole, 1-(3-(Perfluorooctyl)-5-phenyl-1H-pyrazol-1-yl)ethan-1-one
| Molecular Formula | C19H9F17N2O |
|---|---|
| Molecular Weight | 604.04 g/mol |
| LogP | 7.6761 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 604.0443 |
| Heavy Atoms | 39 |
| Complexity | 1214.3049 |
Chemical Identifiers
| CAS Number | 959583-89-2 |
|---|---|
| SMILES | CC(=O)N1C(=CC(=N1)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)C2=CC=CC=C2 |
Product Overview
1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole (CAS 959583-89-2), with molecular formula C19H9F17N2O and molecular weight 604.04 g/mol. IUPAC: 1-[3-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctyl)-5-phenylpyrazol-1-yl]ethanone.
Chemical Property Profile of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole
Property Insights of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole
The XLogP value of 7.6761 indicates that 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole?
The CAS number of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole is 959583-89-2.
What is the molecular formula of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole?
The molecular formula of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole is C19H9F17N2O.
What is the molecular weight of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole?
The molecular weight of 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole is 604.04 g/mol.
Where can I buy 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole?
You can request a quote for 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Acetyl-3(5)-perfluorooctyl-5(3)-phenylpyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.