TL;DR: 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one (CAS 1024741-09-0) is a chemical compound with molecular formula C24H22F4N2O2 and molecular weight 446.16174 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one
Also Known As: 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one, 3-(TERT-BUTYL)-4-(3-(4-METHOXYPHENYL)PROP-2-ENYLIDENE)-1-(2,3,5,6-TETRAFLUORO-4-METHYLPHENYL)-2-PYRAZOLIN-5-ONE, (Z)-3-tert-butyl-4-((E)-3-(4-methoxyphenyl)allylidene)-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-1H-pyrazol-5(4H)-one, 3-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-en-1-ylidene]-1-(2,3,5,6-tetrafluoro-4-methylphenyl)-4,5-dihydro-1H-pyrazol-5-one, 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methyl-phenyl)pyrazol-3-one
| Molecular Formula | C24H22F4N2O2 |
| Molecular Weight | 446.16174 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 41.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.16174 Da |
| Heavy Atoms | 32 |
| Complexity | 767.0 |
| SMILES | CC1=C(C(=C(C(=C1F)F)N2C(=O)C(=CC=CC3=CC=C(C=C3)OC)C(=N2)C(C)(C)C)F)F |
| InChIKey | WGUNSZPAACSIAQ-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.9 Ų, 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is 1024741-09-0.
The molecular formula of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is C24H22F4N2O2.
The molecular weight of 5-tert-butyl-4-[3-(4-methoxyphenyl)prop-2-enylidene]-2-(2,3,5,6-tetrafluoro-4-methylphenyl)pyrazol-3-one is 446.16174 g/mol.
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