TL;DR: 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one (CAS 14387-62-3) is a chemical compound with molecular formula C13H13NO3 and molecular weight 231.08954 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-ethyl-5-hydroxy-3-phenylpyridine-2,6-dione
Also Known As: 4-Hydroxy-2-ethyl-2-phenylglutaconimide, 4-Ethyl-2-hydroxy-4-phenyl-glutaconimide, Glutaconimide, 4-ethyl-2-hydroxy-4-phenyl-, 2,6(1H,3H)-Pyridinedione, 3-ethyl-5-hydroxy-3-phenyl-, 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one
| Molecular Formula | C13H13NO3 |
| Molecular Weight | 231.08954 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 231.08954 Da |
| Heavy Atoms | 17 |
| Complexity | 369.0 |
| SMILES | CCC1(C=C(C(=O)NC1=O)O)C2=CC=CC=C2 |
| InChIKey | QODRFVBHCWUAJM-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one. Following Lipinski's Rule of Five, 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one has 2 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 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one is 14387-62-3.
The molecular formula of 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one is C13H13NO3.
The molecular weight of 3-Ethyl-5,6-dihydroxy-3-phenylpyridin-2(3H)-one is 231.08954 g/mol.
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