TL;DR: (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione (CAS 425605-68-1) is a chemical compound with molecular formula C25H17ClN2O6 and molecular weight 476.0775 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione, 1-(4-acetylphenyl)-4-(4-chlorobenzoyl)-3-hydroxy-5-(4-nitrophenyl)-1,5-dihydro-2H-pyrrol-2-one, 1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxy-methylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione
| Molecular Formula | C25H17ClN2O6 |
| Molecular Weight | 476.0775 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 121.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 476.0775 Da |
| Heavy Atoms | 34 |
| Complexity | 859.0 |
| SMILES | CC(=O)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=C(C=C3)Cl)\O)/C(=O)C2=O)C4=CC=C(C=C4)[N+](=O)[O-] |
| InChIKey | DELCMMPIHZCZIX-XTQSDGFTSA-N |
The XLogP value of 4.7 indicates that (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione is 425605-68-1.
The molecular formula of (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione is C25H17ClN2O6.
The molecular weight of (4E)-1-(4-acetylphenyl)-4-[(4-chlorophenyl)-hydroxymethylidene]-5-(4-nitrophenyl)pyrrolidine-2,3-dione is 476.0775 g/mol.
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