TL;DR: 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide (CAS 15483-62-2) is a chemical compound with molecular formula C22H42I2N2O4 and molecular weight 652.1234 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-methyl-1-[[2-[2-[4-[(1-methylpiperidin-1-ium-1-yl)methyl]-1,3-dioxolan-2-yl]ethyl]-1,3-dioxolan-4-yl]methyl]piperidin-1-ium diiodide
Also Known As: 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide, 1,1'-(Ethylenebis(1,3-dioxolane-2,4-diylmethylene))bis(1-methylpiperidinium) diiodide, Piperidinium, 1,1'-(ethylenebis(1,3-dioxolane-2,4-diylmethylene))bis(1-methyl-, diiodide, 1,1'-[Ethane-1,2-diylbis(1,3-dioxolane-2,4-diylmethylene)]bis(1-methylpiperidin-1-ium) diiodide, 1,1'-{Ethane-1,2-diylbis[(1,3-dioxolane-2,4-diyl)methylene]}bis(1-methylpiperidin-1-ium) diiodide
| Molecular Formula | C22H42I2N2O4 |
| Molecular Weight | 652.1234 g/mol |
| XLogP | -3.4814 |
| Topological Polar Surface Area (TPSA) | 36.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 652.1234 Da |
| Heavy Atoms | 30 |
| Complexity | 447.0 |
| SMILES | C[N+]1(CCCCC1)CC2COC(O2)CCC3OCC(O3)C[N+]4(CCCCC4)C.[I-].[I-] |
| InChIKey | MSIQIGAURZUAGG-UHFFFAOYSA-L |
The XLogP value of -3.4814 indicates that 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 36.9 Ų, 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide is 15483-62-2.
The molecular formula of 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide is C22H42I2N2O4.
The molecular weight of 1,2-Bis(4'-piperidinomethyl-1',3'-dioxolanyl-2')ethane dimethiodide is 652.1234 g/mol.
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