TL;DR: (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one (CAS 1321685-46-4) is a chemical compound with molecular formula C16H12Br2O and molecular weight 377.92548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one
Also Known As: (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one, (3E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one, F1215-0277, (E)-4-(m-bromophenyl)-1-(p-bromophenyl)-3-buten-1-one
| Molecular Formula | C16H12Br2O |
| Molecular Weight | 377.92548 g/mol |
| XLogP | 5.2 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 377.92548 Da |
| Heavy Atoms | 19 |
| Complexity | 319.0 |
| SMILES | C1=CC(=CC(=C1)Br)/C=C/CC(=O)C2=CC=C(C=C2)Br |
| InChIKey | QJQDIVRRBJGYGH-DUXPYHPUSA-N |
The XLogP value of 5.2 indicates that (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one is 1321685-46-4.
The molecular formula of (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one is C16H12Br2O.
The molecular weight of (E)-4-(3-bromophenyl)-1-(4-bromophenyl)but-3-en-1-one is 377.92548 g/mol.
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