TL;DR: 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one (CAS 332022-26-1) is a chemical compound with molecular formula C18H13Br2NO3 and molecular weight 448.9262 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one
Also Known As: BAS 00805053, 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one, 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-5-oxo-3-pyrroline, 4-Acetyl-1,5-bis-(4-bromo-phenyl)-3-hydroxy-1,5-dihydro-pyrrol-2-one, 4-acetyl-1,5-bis(4-bromophenyl)-3-hydroxy-1H-pyrrol-2(5H)-one
| Molecular Formula | C18H13Br2NO3 |
| Molecular Weight | 448.9262 g/mol |
| XLogP | 4.3 |
| Topological Polar Surface Area (TPSA) | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 448.9262 Da |
| Heavy Atoms | 24 |
| Complexity | 546.0 |
| SMILES | CC(=O)C1=C(C(=O)N(C1C2=CC=C(C=C2)Br)C3=CC=C(C=C3)Br)O |
| InChIKey | VUZMQDYNFPBTFX-UHFFFAOYSA-N |
The XLogP value of 4.3 indicates that 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.6 Ų, 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one is 332022-26-1.
The molecular formula of 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one is C18H13Br2NO3.
The molecular weight of 3-acetyl-1,2-bis(4-bromophenyl)-4-hydroxy-2H-pyrrol-5-one is 448.9262 g/mol.
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