TL;DR: Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide (CAS 123489-67-8) is a chemical compound with molecular formula C26H34Br2N2O4 and molecular weight 596.0885 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone dibromide
Also Known As: Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide, 4,4'-Bis(2,3,5,6-tetrahydro-1,4-oxazin-4-ylacetyl)biphenyl dimethiobromide, 2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone;dibromide, 2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-methylmorphol, 2-(4-methylmorpholin-4-ium-4-yl)-1-[4-[4-[2-(4-methylmorpholin-4-ium-4-yl)acetyl]phenyl]phenyl]ethanone dibromide
| Molecular Formula | C26H34Br2N2O4 |
| Molecular Weight | 596.0885 g/mol |
| XLogP | -3.3194 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 596.0885 Da |
| Heavy Atoms | 34 |
| Complexity | 582.0 |
| SMILES | C[N+]1(CCOCC1)CC(=O)C2=CC=C(C=C2)C3=CC=C(C=C3)C(=O)C[N+]4(CCOCC4)C.[Br-].[Br-] |
| InChIKey | MWUCPFWOPNCKEF-UHFFFAOYSA-L |
The XLogP value of -3.3194 indicates that Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide is 123489-67-8.
The molecular formula of Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide is C26H34Br2N2O4.
The molecular weight of Morpholinium, 4,4'-((1,1'-biphenyl)-4,4'-diylbis(2-oxo-2,1-ethanediyl))bis(4-methyl-, dibromide is 596.0885 g/mol.
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