TL;DR: Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide (CAS 73826-53-6) is a chemical compound with molecular formula C16H34I2N2 and molecular weight 508.08115 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl-methyl-[2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-2-yl)ethyl]azanium diiodide
Also Known As: 2-(2-(Diethylmethylammonium)ethyl)-2-methylhexahydroisoindolinium diiodide, ISOINDOLINIUM, HEXAHYDRO-2-(2-(DIETHYLMETHYLAMMONIO)ETHYL)-2-METHYL-, DIIODIDE, 8-(Diethylmethylammoniumethyl)-8-methyl-8-azoniumbicyclo-(4.3.0)nonane diiodide, diethyl-methyl-[2-(2-methyl-1,3,3a,4,5,6,7,7a-octahydroisoindol-2-ium-2-yl)ethyl]azanium diiodide, 1H-Isoindolium, 2-[2-(diethylmethylammonio)ethyl]octahydro-2-methyl-, diiodide
| Molecular Formula | C16H34I2N2 |
| Molecular Weight | 508.08115 g/mol |
| XLogP | -3.25 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 508.08115 Da |
| Heavy Atoms | 20 |
| Complexity | 256.0 |
| SMILES | CC[N+](C)(CC)CC[N+]1(CC2CCCCC2C1)C.[I-].[I-] |
| InChIKey | RMSMATYJKXEQST-UHFFFAOYSA-L |
The XLogP value of -3.25 indicates that Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide is 73826-53-6.
The molecular formula of Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide is C16H34I2N2.
The molecular weight of Isoindolinium, hexahydro-2-(2-(diethylmethylammonio)ethyl)-2-methyl-, diiodide is 508.08115 g/mol.
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