TL;DR: 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide (CAS 106300-05-4) is a chemical compound with molecular formula C18H40I2N4 and molecular weight 566.1342 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[6-(4,4-dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium diiodide
Also Known As: SD 211-05, Piperazinium, 4,4'-hexamethylenebis(1,1-dimethyl-, diiodide, 4,4'-Hexamethylenebis(1,1-dimethylpiperazinium iodide), 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide, 4-[6-(4,4-dimethylpiperazin-4-ium-1-yl)hexyl]-1,1-dimethylpiperazin-1-ium diiodide
| Molecular Formula | C18H40I2N4 |
| Molecular Weight | 566.1342 g/mol |
| XLogP | -4.6612 |
| Topological Polar Surface Area (TPSA) | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 566.1342 Da |
| Heavy Atoms | 24 |
| Complexity | 275.0 |
| SMILES | C[N+]1(CCN(CC1)CCCCCCN2CC[N+](CC2)(C)C)C.[I-].[I-] |
| InChIKey | PAHOZSMDIGYFTB-UHFFFAOYSA-L |
The XLogP value of -4.6612 indicates that 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 6.5 Ų, 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide is 106300-05-4.
The molecular formula of 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide is C18H40I2N4.
The molecular weight of 4,4'-(Hexane-1,6-diyl)bis(1,1-dimethylpiperazin-1-ium) diiodide is 566.1342 g/mol.
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