TL;DR: (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione (CAS 498537-76-1) is a chemical compound with molecular formula C25H21ClN2O3 and molecular weight 432.12408 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(4-chlorophenyl)-1-[4-(dimethylamino)phenyl]-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione, 5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-(hydroxy-phenyl-methylidene)pyrrolidine-2,3-dione
| Molecular Formula | C25H21ClN2O3 |
| Molecular Weight | 432.12408 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 432.12408 Da |
| Heavy Atoms | 31 |
| Complexity | 700.0 |
| SMILES | CN(C)C1=CC=C(C=C1)N2C(/C(=C(/C3=CC=CC=C3)\O)/C(=O)C2=O)C4=CC=C(C=C4)Cl |
| InChIKey | JGIXGZPRIAAVOA-XTQSDGFTSA-N |
The XLogP value of 5.3 indicates that (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is 498537-76-1.
The molecular formula of (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is C25H21ClN2O3.
The molecular weight of (4E)-5-(4-chlorophenyl)-1-(4-dimethylaminophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione is 432.12408 g/mol.
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