TL;DR: 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- (CAS 108664-42-2) is a chemical compound with molecular formula C19H16N2O and molecular weight 288.12625 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-phenylphenyl)-2-(pyrazol-1-ylmethyl)prop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)-, 1-(4-phenylphenyl)-2-(pyrazol-1-ylmethyl)prop-2-en-1-one, 1-(1,1'-BIPHENYL)-4-YL-2-(1H-PYRAZOL-1-YLMETHYL)-2-PROPEN-1-ONE, 1-([1,1'-Biphenyl]-4-yl)-2-[(1H-pyrazol-1-yl)methyl]prop-2-en-1-one, 2-Propen-1-one, 1-[1,1'-biphenyl]-4-yl-2-(1H-pyrazol-1-ylmethyl)-
| Molecular Formula | C19H16N2O |
| Molecular Weight | 288.12625 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 34.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 288.12625 Da |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
| SMILES | C=C(CN1C=CC=N1)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3 |
| InChIKey | TZDGDIOSNUETMK-UHFFFAOYSA-N |
The XLogP value of 3.7 indicates that 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.9 Ų, 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- is 108664-42-2.
The molecular formula of 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- is C19H16N2O.
The molecular weight of 2-Propen-1-one, 1-(1,1'-biphenyl)-4-yl-2-(1H-pyrazol-1-ylmethyl)- is 288.12625 g/mol.
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