TL;DR: (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione (CAS 955863-31-7) is a chemical compound with molecular formula C28H29FN4O4 and molecular weight 504.2173 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione
Also Known As: (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione, 5-(2-fluorophenyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-1-(3-morpholinopropyl)-1H-pyrrol-2(5H)-one, 5-(2-fluorophenyl)-3-hydroxy-4-[(5-methyl-1-phenylpyrazol-4-yl)carbonyl]-1-(3- morpholin-4-ylpropyl)-3-pyrrolin-2-one
| Molecular Formula | C28H29FN4O4 |
| Molecular Weight | 504.2173 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 504.2173 Da |
| Heavy Atoms | 37 |
| Complexity | 857.0 |
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCCN4CCOCC4)C5=CC=CC=C5F)/O |
| InChIKey | BLYLQEOBXFDUPS-SHHOIMCASA-N |
The XLogP value of 3.4 indicates that (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)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)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is 955863-31-7.
The molecular formula of (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is C28H29FN4O4.
The molecular weight of (4E)-5-(2-fluorophenyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-1-(3-morpholin-4-ylpropyl)pyrrolidine-2,3-dione is 504.2173 g/mol.
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