TL;DR: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione (CAS 615274-34-5) is a chemical compound with molecular formula C25H29ClN2O5 and molecular weight 472.1765 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-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione, 1-[2-(diethylamino)ethyl]-5-(2,3-dimethoxyphenyl)-4-[(4-chlorophenyl)carbonyl] -3-hydroxy-3-pyrrolin-2-one, 4-(4-chlorobenzoyl)-1-(2-(diethylamino)ethyl)-5-(2,3-dimethoxyphenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C25H29ClN2O5 |
| Molecular Weight | 472.1765 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 83.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 472.1765 Da |
| Heavy Atoms | 33 |
| Complexity | 718.0 |
| SMILES | CCN(CC)CCN1C(/C(=C(/C2=CC=C(C=C2)Cl)\O)/C(=O)C1=O)C3=C(C(=CC=C3)OC)OC |
| InChIKey | OIYQIDHYKRSKJL-LSDHQDQOSA-N |
The XLogP value of 4.4 indicates that (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione is 615274-34-5.
The molecular formula of (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione is C25H29ClN2O5.
The molecular weight of (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(2-diethylaminoethyl)-5-(2,3-dimethoxyphenyl)pyrrolidine-2,3-dione is 472.1765 g/mol.
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