TL;DR: 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- (CAS 118024-30-9) is a chemical compound with molecular formula C17H12Br2O and molecular weight 389.92548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2E,4E)-1-(3,4-dibromophenyl)-5-phenylpenta-2,4-dien-1-one
Also Known As: 1-(3,4-Dibromophenyl)-5-phenyl-2,4-pentadien-1-one, 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl-, (2E,4E)-1-(3,4-dibromophenyl)-5-phenylpenta-2,4-dien-1-one
| Molecular Formula | C17H12Br2O |
| Molecular Weight | 389.92548 g/mol |
| XLogP | 5.7 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 4 |
| Exact Mass | 389.92548 Da |
| Heavy Atoms | 20 |
| Complexity | 369.0 |
| SMILES | C1=CC=C(C=C1)/C=C/C=C/C(=O)C2=CC(=C(C=C2)Br)Br |
| InChIKey | RXMLCYIOTAOKRB-KBXRYBNXSA-N |
The XLogP value of 5.7 indicates that 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- is 118024-30-9.
The molecular formula of 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- is C17H12Br2O.
The molecular weight of 2,4-Pentadien-1-one, 1-(3,4-dibromophenyl)-5-phenyl- is 389.92548 g/mol.
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