TL;DR: 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)- (CAS 104941-13-1) is a chemical compound with molecular formula C16H15NO3 and molecular weight 269.1052 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(4-methoxybenzoyl)prop-2-enyl]pyridin-2-one
Also Known As: 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)-, 1-[2-(4-methoxybenzoyl)allyl]pyridin-2-one, 1-[2-(4-methoxybenzoyl)prop-2-enyl]pyridin-2-one, 2(1H)-Pyridinone,1-(2-(4-methoxybenzoyl)-2-propenyl)-, 2(1H)-Pyridinone, 1-[2-(4-methoxybenzoyl)-2-propenyl]-
| Molecular Formula | C16H15NO3 |
| Molecular Weight | 269.1052 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.1052 Da |
| Heavy Atoms | 20 |
| Complexity | 456.0 |
| SMILES | COC1=CC=C(C=C1)C(=O)C(=C)CN2C=CC=CC2=O |
| InChIKey | AUXFQZLLLHCCEE-UHFFFAOYSA-N |
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)- has 0 hydrogen bond donor(s) and 3 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-methoxybenzoyl)-2-propenyl)- is 104941-13-1.
The molecular formula of 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)- is C16H15NO3.
The molecular weight of 2(1H)-Pyridinone, 1-(2-(4-methoxybenzoyl)-2-propenyl)- is 269.1052 g/mol.
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