TL;DR: 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)- (CAS 108664-37-5) is a chemical compound with molecular formula C14H11NO and molecular weight 209.08406 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-phenyl-2-pyridin-4-ylprop-2-en-1-one
Also Known As: 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)-, 1-phenyl-2-pyridin-4-ylprop-2-en-1-one, 1-phenyl-2-(4-pyridyl)prop-2-en-1-one, 2(1H)-Pyridinone,1-(1-benzoylethenyl)-5-chloro-, 1-PHENYL-2-(4-PYRIDINYL)-2-PROPEN-1-ONE
| Molecular Formula | C14H11NO |
| Molecular Weight | 209.08406 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 209.08406 Da |
| Heavy Atoms | 16 |
| Complexity | 260.0 |
| SMILES | C=C(C1=CC=NC=C1)C(=O)C2=CC=CC=C2 |
| InChIKey | LNKJTAXYOUBBSQ-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)-. With a topological polar surface area (TPSA) of 30.0 Ų, 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)- 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-phenyl-2-(4-pyridinyl)- is 108664-37-5.
The molecular formula of 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)- is C14H11NO.
The molecular weight of 2-Propen-1-one, 1-phenyl-2-(4-pyridinyl)- is 209.08406 g/mol.
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