TL;DR: 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-2-propenyl)- (CAS 108664-44-4) is a chemical compound with molecular formula C13H11NO2S and molecular weight 245.05106 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one
Also Known As: 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-2-propenyl)-, 1-[2-(thiophene-3-carbonyl)allyl]pyridin-2-one, 1-[2-(thiophene-3-carbonyl)prop-2-enyl]pyridin-2-one, 1-[2-(3-THIENYLCARBONYL)-2-PROPENYL]-2(1H)-PYRIDINONE, 1-[2-(3-thienylcarbonyl)-2-propenyl]-2(1h)pyridinone
| Molecular Formula | C13H11NO2S |
| Molecular Weight | 245.05106 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 65.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 245.05106 Da |
| Heavy Atoms | 17 |
| Complexity | 412.0 |
| SMILES | C=C(CN1C=CC=CC1=O)C(=O)C2=CSC=C2 |
| InChIKey | ZNYZORVWVBVFEA-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-2-propenyl)-. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-2-propenyl)-. Following Lipinski's Rule of Five, 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-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-(3-thienylcarbonyl)-2-propenyl)- is 108664-44-4.
The molecular formula of 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-2-propenyl)- is C13H11NO2S.
The molecular weight of 2(1H)-Pyridinone, 1-(2-(3-thienylcarbonyl)-2-propenyl)- is 245.05106 g/mol.
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