TL;DR: (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione (CAS 955877-77-7) is a chemical compound with molecular formula C28H32N4O6 and molecular weight 520.2322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione
Also Known As: (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione, 1-(2-(dimethylamino)ethyl)-3-hydroxy-4-(5-methyl-1-phenyl-1H-pyrazole-4-carbonyl)-5-(3,4,5-trimethoxyphenyl)-1H-pyrrol-2(5H)-one, 1-[2-(dimethylamino)ethyl]-3-hydroxy-4-[(5-methyl-1-phenylpyrazol-4-yl)carbony l]-5-(3,4,5-trimethoxyphenyl)-3-pyrrolin-2-one
| Molecular Formula | C28H32N4O6 |
| Molecular Weight | 520.2322 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 520.2322 Da |
| Heavy Atoms | 38 |
| Complexity | 861.0 |
| SMILES | CC1=C(C=NN1C2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCN(C)C)C4=CC(=C(C(=C4)OC)OC)OC)/O |
| InChIKey | UDZXLBHXUFUEAI-WJTDDFOZSA-N |
The XLogP value of 3.4 indicates that (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)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)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is 955877-77-7.
The molecular formula of (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is C28H32N4O6.
The molecular weight of (4E)-1-(2-dimethylaminoethyl)-4-[hydroxy-(5-methyl-1-phenylpyrazol-4-yl)methylidene]-5-(3,4,5-trimethoxyphenyl)pyrrolidine-2,3-dione is 520.2322 g/mol.
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