TL;DR: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione (CAS 636987-53-6) is a chemical compound with molecular formula C27H33ClN2O6 and molecular weight 516.2027 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione, 1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)-4-[(3-chloro-4-methoxypheny l)carbonyl]-3-hydroxy-3-pyrrolin-2-one, 4-(3-chloro-4-methoxybenzoyl)-1-(3-(diethylamino)propyl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C27H33ClN2O6 |
| Molecular Weight | 516.2027 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 88.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.2027 Da |
| Heavy Atoms | 36 |
| Complexity | 788.0 |
| SMILES | CCN(CC)CCCN1C(/C(=C(/C2=CC(=C(C=C2)OC)Cl)\O)/C(=O)C1=O)C3=C(C=CC(=C3)OC)OC |
| InChIKey | CDVLWVNABWNPIT-WJTDDFOZSA-N |
The XLogP value of 4.6 indicates that (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.5 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione is 636987-53-6.
The molecular formula of (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione is C27H33ClN2O6.
The molecular weight of (4E)-4-[(3-chloro-4-methoxyphenyl)-hydroxymethylidene]-1-[3-(diethylamino)propyl]-5-(2,5-dimethoxyphenyl)pyrrolidine-2,3-dione is 516.2027 g/mol.
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