TL;DR: (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione (CAS 608497-98-9) is a chemical compound with molecular formula C23H25BrN2O4 and molecular weight 472.09976 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione
Also Known As: (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, (4Z)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione, 1-[3-(dimethylamino)propyl]-5-(4-bromophenyl)-3-hydroxy-4-[(3-methoxyphenyl)ca rbonyl]-3-pyrrolin-2-one, 5-(4-bromophenyl)-1-(3-(dimethylamino)propyl)-3-hydroxy-4-(3-methoxybenzoyl)-1H-pyrrol-2(5H)-one
| Molecular Formula | C23H25BrN2O4 |
| Molecular Weight | 472.09976 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 74.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.09976 Da |
| Heavy Atoms | 30 |
| Complexity | 658.0 |
| SMILES | CN(C)CCCN1C(/C(=C(/C2=CC(=CC=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)Br |
| InChIKey | MBYMGJSKHDLMDW-XUTLUUPISA-N |
The XLogP value of 4.1 indicates that (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.1 Ų falls within the moderate polarity range, balancing permeability and solubility for (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione. Following Lipinski's Rule of Five, (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is 608497-98-9.
The molecular formula of (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is C23H25BrN2O4.
The molecular weight of (4E)-5-(4-bromophenyl)-1-[3-(dimethylamino)propyl]-4-[hydroxy-(3-methoxyphenyl)methylidene]pyrrolidine-2,3-dione is 472.09976 g/mol.
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