TL;DR: 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)- (CAS 104941-12-0) 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-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one
Also Known As: 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)-, 1-[2-(4-chlorobenzoyl)allyl]pyridin-2-one, 1-[2-(4-chlorobenzoyl)prop-2-enyl]pyridin-2-one, 2(1H)-Pyridinone,1-(2-(4-chlorobenzoyl)-2-propenyl)-, 1-[2-(4-Chlorobenzoyl)prop-2-en-1-yl]pyridin-2(1H)-one
| Molecular Formula | C15H12ClNO2 |
| Molecular Weight | 273.05566 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 37.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 273.05566 Da |
| Heavy Atoms | 19 |
| Complexity | 445.0 |
| SMILES | C=C(CN1C=CC=CC1=O)C(=O)C2=CC=C(C=C2)Cl |
| InChIKey | YAYMHSVCYOOJNL-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)-. With a topological polar surface area (TPSA) of 37.4 Ų, 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)- 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-(2-(4-chlorobenzoyl)-2-propenyl)- is 104941-12-0.
The molecular formula of 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)- is C15H12ClNO2.
The molecular weight of 2(1H)-Pyridinone, 1-(2-(4-chlorobenzoyl)-2-propenyl)- is 273.05566 g/mol.
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