TL;DR: 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone (CAS 1164453-25-1) is a chemical compound with molecular formula C17H17NO2 and molecular weight 267.12592 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4,6-dimethyl-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1H-pyridin-2-one
Also Known As: BIM-0020029.P001, 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone, 4,6-dimethyl-3-[(E)-3-(4-methylphenyl)prop-2-enoyl]-1H-pyridin-2-one, 4,6-dimethyl-3-[(2E)-3-(4-methylphenyl)prop-2-enoyl]pyridin-2(1H)-one
| Molecular Formula | C17H17NO2 |
| Molecular Weight | 267.12592 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.12592 Da |
| Heavy Atoms | 20 |
| Complexity | 503.0 |
| SMILES | CC1=CC=C(C=C1)/C=C/C(=O)C2=C(C=C(NC2=O)C)C |
| InChIKey | LLWWGGCWHXOTOS-CMDGGOBGSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone. With a topological polar surface area (TPSA) of 46.2 Ų, 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone has 1 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 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone is 1164453-25-1.
The molecular formula of 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone is C17H17NO2.
The molecular weight of 4,6-dimethyl-3-[3-(4-methylphenyl)acryloyl]-2(1H)-pyridinone is 267.12592 g/mol.
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