TL;DR: 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- (CAS 108664-27-3) is a chemical compound with molecular formula C15H12ClNO2 and molecular weight 273.05566 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one
Also Known As: 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl-, 1-[1-(4-chlorobenzoyl)vinyl]-5-methyl-pyridin-2-one, 2(1H)-Pyridinone,1-[1-(4-chlorobenzoyl)ethenyl]-5-methyl-, 1-[3-(4-chlorophenyl)-3-oxoprop-1-en-2-yl]-5-methylpyridin-2-one, 2(1H)-Pyridinone,1-[1-(4-chlorobenzoyl)ethenyl]-5-methyl
| Molecular Formula | C15H12ClNO2 |
| Molecular Weight | 273.05566 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 273.05566 Da |
| Heavy Atoms | 19 |
| Complexity | 471.0 |
| SMILES | CC1=CN(C(=O)C=C1)C(=C)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | JVALCGLBCXZWRW-UHFFFAOYSA-N |
The XLogP value of 3.0 indicates that 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.4 Ų, 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- 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(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- is 108664-27-3.
The molecular formula of 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- is C15H12ClNO2.
The molecular weight of 2(1H)-Pyridinone, 1-(1-(4-chlorobenzoyl)ethenyl)-5-methyl- is 273.05566 g/mol.
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