TL;DR: 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide (CAS 15500-67-1) is a chemical compound with molecular formula C33H56I2N2O6 and molecular weight 830.2228 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[(3S,5S,10S,13S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(4-methylmorpholin-4-ium-4-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate diiodide
Also Known As: Morpholinium, 4,4'-(3-alpha,17-beta-dihydroxy-5-alpha-androstan-2-beta,16-beta-ylene)bis(4-methyl-, diiodide, diacetate (ester), 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide, (8xi,9xi,14xi)-3alpha,17beta-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)-5alpha-androstane diiodide, [(3S,5S,10S,13S,17R)-17-acetyloxy-10,13-dimethyl-2,16-bis(4-methylmorpholin-4-ium-4-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate diiodide
| Molecular Formula | C33H56I2N2O6 |
| Molecular Weight | 830.2228 g/mol |
| XLogP | -2.1889 |
| Topological Polar Surface Area (TPSA) | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 830.2228 Da |
| Heavy Atoms | 43 |
| Complexity | 1010.0 |
| SMILES | CC(=O)O[C@H]1C[C@@H]2CCC3C([C@]2(CC1[N+]4(CCOCC4)C)C)CC[C@]5(C3CC([C@@H]5OC(=O)C)[N+]6(CCOCC6)C)C.[I-].[I-] |
| InChIKey | UFZLIEFNBRSAGY-WFRJTHFSSA-L |
The XLogP value of -2.1889 indicates that 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide. Following Lipinski's Rule of Five, 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide is 15500-67-1.
The molecular formula of 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide is C33H56I2N2O6.
The molecular weight of 3,17-Bis(acetyloxy)-2,16-bis(4-methylmorpholin-4-ium-4-yl)androstane diiodide is 830.2228 g/mol.
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