TL;DR: C28H26BrNO5 (CAS 488853-85-6) is a chemical compound with molecular formula C28H26BrNO5 and molecular weight 535.0994 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(4E)-5-(3-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione
Also Known As: 4-(4-(Benzyloxy)-2-methylbenzoyl)-5-(3-bromophenyl)-3-hydroxy-1-(2-methoxyethyl)-1H-pyrrol-2(5H)-one, (4E)-4-{[4-(benzyloxy)-2-methylphenyl](hydroxy)methylidene}-5-(3-bromophenyl)-1-(2-methoxyethyl)pyrrolidine-2,3-dione, (4E)-5-(3-bromophenyl)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-1-(2-methoxyethyl)pyrrolidine-2,3-dione, 4-[4-(benzyloxy)-2-methylbenzoyl]-5-(3-bromophenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one, 4-{[4-(benzyloxy)-2-methylphenyl]carbonyl}-5-(3-bromophenyl)-3-hydroxy-1-(2-methoxyethyl)-1,5-dihydro-2H-pyrrol-2-one
| Molecular Formula | C28H26BrNO5 |
| Molecular Weight | 535.0994 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 76.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.0994 Da |
| Heavy Atoms | 35 |
| Complexity | 779.0 |
| SMILES | CC1=C(C=CC(=C1)OCC2=CC=CC=C2)/C(=C\3/C(N(C(=O)C3=O)CCOC)C4=CC(=CC=C4)Br)/O |
| InChIKey | UCXPQNOVRRRXOA-SHHOIMCASA-N |
The XLogP value of 5.3 indicates that C28H26BrNO5 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 C28H26BrNO5. Following Lipinski's Rule of Five, C28H26BrNO5 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of C28H26BrNO5 is 488853-85-6.
The molecular formula of C28H26BrNO5 is C28H26BrNO5.
The molecular weight of C28H26BrNO5 is 535.0994 g/mol.
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