TL;DR: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione (CAS 514193-03-4) is a chemical compound with molecular formula C26H19ClN2O4S and molecular weight 490.0754 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione
Also Known As: (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione, (4E)-4-[(4-chlorophenyl)-hydroxymethylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione, 4-(4-chlorobenzoyl)-1-(6-ethoxybenzo[d]thiazol-2-yl)-3-hydroxy-5-phenyl-1H-pyrrol-2(5H)-one, 4-[(4-chlorophenyl)carbonyl]-1-(6-ethoxybenzothiazol-2-yl)-3-hydroxy-5-phenyl- 3-pyrrolin-2-one
| Molecular Formula | C26H19ClN2O4S |
| Molecular Weight | 490.0754 g/mol |
| XLogP | 6.3 |
| Topological Polar Surface Area (TPSA) | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.0754 Da |
| Heavy Atoms | 34 |
| Complexity | 809.0 |
| SMILES | CCOC1=CC2=C(C=C1)N=C(S2)N3C(/C(=C(/C4=CC=C(C=C4)Cl)\O)/C(=O)C3=O)C5=CC=CC=C5 |
| InChIKey | CNZYHNZFJCYFSU-XTQSDGFTSA-N |
The XLogP value of 6.3 indicates that (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione is 514193-03-4.
The molecular formula of (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione is C26H19ClN2O4S.
The molecular weight of (4E)-4-[(4-chlorophenyl)(hydroxy)methylidene]-1-(6-ethoxy-1,3-benzothiazol-2-yl)-5-phenylpyrrolidine-2,3-dione is 490.0754 g/mol.
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