TL;DR: 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one (CAS 489416-20-8) is a chemical compound with molecular formula C27H23NO4 and molecular weight 425.16272 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-ethoxyphenyl)-4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one
Also Known As: 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one, 1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-4-(3-phenylprop-2-enoyl)-5H-pyrrol-2-one, 1-(4-ethoxyphenyl)-4-hydroxy-2-phenyl-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one, (4E)-1-(4-ethoxyphenyl)-4-[(2E)-1-hydroxy-3-phenylprop-2-en-1-ylidene]-5-phenylpyrrolidine-2,3-dione
| Molecular Formula | C27H23NO4 |
| Molecular Weight | 425.16272 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 425.16272 Da |
| Heavy Atoms | 32 |
| Complexity | 722.0 |
| SMILES | CCOC1=CC=C(C=C1)N2C(C(=C(C2=O)O)C(=O)/C=C/C3=CC=CC=C3)C4=CC=CC=C4 |
| InChIKey | QBVIKVKNAFUIKY-QGOAFFKASA-N |
The XLogP value of 5.3 indicates that 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one. Following Lipinski's Rule of Five, 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is 489416-20-8.
The molecular formula of 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is C27H23NO4.
The molecular weight of 4-cinnamoyl-1-(4-ethoxyphenyl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one is 425.16272 g/mol.
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