TL;DR: Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide (CAS 63716-88-1) is a chemical compound with molecular formula C22H38I2N2O5 and molecular weight 664.08704 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 1-[2-[2-(3-methoxycarbonyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethoxy]ethyl]-1-azoniabicyclo[2.2.2]octane-3-carboxylate diiodide
Also Known As: KST-1B6906, 1,4-Di(3',3'-acetoxyquinuclidyl-1',1')-diethyl ether diiodide, Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide, 1,1'-(oxydiethane-2,1-diyl)bis[3-(methoxycarbonyl)-1-azoniabicyclo[2.2.2]octane] diiodide, 1,1'-[Oxydi(ethane-2,1-diyl)]bis[3-(methoxycarbonyl)-1-azabicyclo[2.2.2]octan-1-ium] diiodide
| Molecular Formula | C22H38I2N2O5 |
| Molecular Weight | 664.08704 g/mol |
| XLogP | -4.93 |
| Topological Polar Surface Area (TPSA) | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 664.08704 Da |
| Heavy Atoms | 31 |
| Complexity | 556.0 |
| SMILES | COC(=O)C1C[N+]2(CCC1CC2)CCOCC[N+]34CCC(CC3)C(C4)C(=O)OC.[I-].[I-] |
| InChIKey | XFZHQCMTPGWYES-UHFFFAOYSA-L |
The XLogP value of -4.93 indicates that Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide. Following Lipinski's Rule of Five, Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide is 63716-88-1.
The molecular formula of Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide is C22H38I2N2O5.
The molecular weight of Quinuclidinium, 1,1'-oxydiethylenebis(3-methoxycarbonyl-, diiodide is 664.08704 g/mol.
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