TL;DR: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione (CAS 615274-36-7) is a chemical compound with molecular formula C26H31ClN2O3 and molecular weight 454.20233 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-[2-(diethylamino)ethyl]-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione, 1-[2-(diethylamino)ethyl]-4-[(4-chlorophenyl)carbonyl]-3-hydroxy-5-[4-(methyle thyl)phenyl]-3-pyrrolin-2-one, 4-(4-chlorobenzoyl)-1-(2-(diethylamino)ethyl)-3-hydroxy-5-(4-isopropylphenyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C26H31ClN2O3 |
| Molecular Weight | 454.20233 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 64.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 454.20233 Da |
| Heavy Atoms | 32 |
| Complexity | 687.0 |
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=CC=C(C=C3)C(C)C |
| InChIKey | UXAHJRPMHHCCRZ-ZNTNEXAZSA-N |
The XLogP value of 5.6 indicates that (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is 615274-36-7.
The molecular formula of (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is C26H31ClN2O3.
The molecular weight of (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(4-propan-2-ylphenyl)pyrrolidine-2,3-dione is 454.20233 g/mol.
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