TL;DR: 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] (CAS 57668-61-8) is a chemical compound with molecular formula C16H15BrF2 and molecular weight 324.03253 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-bromo-1-(4-fluorophenyl)butyl]-4-fluorobenzene
Also Known As: 1,1'-(4-Bromobutylidene)bis(4-fluorobenzene), 1,1'-(4-bromobutylidene)bis[4-fluorobenzene], KST-1B6012, 1-[4-bromo-1-(4-fluorophenyl)butyl]-4-fluorobenzene, 4,4-bis(4-fluorophenyl)butyl bromide
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C16H15BrF2 |
| Molecular Weight | 324.03253 g/mol |
| XLogP | 5.3 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.03253 Da |
| Heavy Atoms | 19 |
| Complexity | 221.0 |
| SMILES | C1=CC(=CC=C1C(CCCBr)C2=CC=C(C=C2)F)F |
| InChIKey | AJHQYQYRIDMWON-UHFFFAOYSA-N |
The XLogP value of 5.3 indicates that 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] is 57668-61-8.
The molecular formula of 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] is C16H15BrF2.
The molecular weight of 1,1'-(4-Bromobutylidene)bis[4-fluorobenzene] is 324.03253 g/mol.
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