4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
TL;DR: 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole (CAS 1029636-18-7) is a chemical compound with molecular formula C14H8ClF9N2O and molecular weight 426.01816 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
Also Known As: 4-Chloro-5-(4-methoxyphenyl)-3-perfluorobutyl-1H-pyrazole, 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole, 4-chloro-3-(4-methoxyphenyl)-5-(nonafluorobutyl)-2H-pyrazole
Technical Specifications
| Molecular Formula | C14H8ClF9N2O |
| Molecular Weight | 426.01816 g/mol |
| XLogP | 5.4 |
| Topological Polar Surface Area (TPSA) | 37.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 5 |
| Exact Mass | 426.01816 Da |
| Heavy Atoms | 27 |
| Complexity | 523.0 |
| SMILES | COC1=CC=C(C=C1)C2=NNC(=C2Cl)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F |
| InChIKey | ZMVAMPSKIYWHPY-UHFFFAOYSA-N |
Chemical Property Profile of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
Property Insights of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole
The XLogP value of 5.4 indicates that 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.9 Ų, 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole has 1 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole?
The CAS number of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole is 1029636-18-7.
What is the molecular formula of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole?
The molecular formula of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole is C14H8ClF9N2O.
What is the molecular weight of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole?
The molecular weight of 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole is 426.01816 g/mol.
Where can I buy 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole?
You can request a quote for 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole?
Yes, CoreyChem provides custom synthesis services for 4-chloro-3-(4-methoxyphenyl)-5-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)-1H-pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.