TL;DR: 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one (CAS 433310-00-0) is a chemical compound with molecular formula C22H22BrNO5 and molecular weight 459.06815 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione
Also Known As: 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one, 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-1H-pyrrol-2(5H)-one, (4E)-5-(4-bromophenyl)-4-[hydroxy(4-methoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione, (4E)-5-(4-bromophenyl)-4-[hydroxy-(4-methoxyphenyl)methylidene]-1-(3-methoxypropyl)pyrrolidine-2,3-dione, 5-(4-bromophenyl)-3-hydroxy-4-[(4-methoxyphenyl)carbonyl]-1-(3-methoxypropyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C22H22BrNO5 |
| Molecular Weight | 459.06815 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 459.06815 Da |
| Heavy Atoms | 29 |
| Complexity | 621.0 |
| SMILES | COCCCN1C(/C(=C(/C2=CC=C(C=C2)OC)\O)/C(=O)C1=O)C3=CC=C(C=C3)Br |
| InChIKey | MVDCMKSCLIWQLS-CZIZESTLSA-N |
The XLogP value of 3.8 indicates that 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one. Following Lipinski's Rule of Five, 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one 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 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one is 433310-00-0.
The molecular formula of 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one is C22H22BrNO5.
The molecular weight of 5-(4-bromophenyl)-3-hydroxy-4-(4-methoxybenzoyl)-1-(3-methoxypropyl)-2,5-dihydro-1H-pyrrol-2-one is 459.06815 g/mol.
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