TL;DR: 1,1'-Dioctyl-4,4'-bipyridinium dibromide (CAS 36437-30-6) is a chemical compound with molecular formula C26H42Br2N2 and molecular weight 540.17145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-octyl-4-(1-octylpyridin-1-ium-4-yl)pyridin-1-ium dibromide
Also Known As: Octylviologen bromide, 1,1'-Di-n-octyl-4,4'-bipyridinium Dibromide, 1,1-di-n-octyl-4,4-bipyridinium dibromide, 1,1'-Dioctyl-4,4'-bipyridinium dibromide, 1,1-Di-n-Octyl-4,4-bipyridiniumdibromide
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C26H42Br2N2 |
| Molecular Weight | 540.17145 g/mol |
| XLogP | 0.66 |
| Topological Polar Surface Area (TPSA) | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 15 |
| Exact Mass | 542.16943 Da |
| Heavy Atoms | 30 |
| Complexity | 306.0 |
| SMILES | CCCCCCCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCCCCCCC.[Br-].[Br-] |
| InChIKey | GVUBEJANEHZYPA-UHFFFAOYSA-L |
The XLogP value of 0.66 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Dioctyl-4,4'-bipyridinium dibromide. With a topological polar surface area (TPSA) of 7.8 Ų, 1,1'-Dioctyl-4,4'-bipyridinium dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,1'-Dioctyl-4,4'-bipyridinium dibromide 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'-Dioctyl-4,4'-bipyridinium dibromide is 36437-30-6.
The molecular formula of 1,1'-Dioctyl-4,4'-bipyridinium dibromide is C26H42Br2N2.
The molecular weight of 1,1'-Dioctyl-4,4'-bipyridinium dibromide is 540.17145 g/mol.
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