TL;DR: RefChem:318654 (CAS 111528-95-1) is a chemical compound with molecular formula C19H38Br2N4O2 and molecular weight 512.13617 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-4-methylpyridazin-3-yl]oxyethyl-diethyl-methylazanium dibromide
Also Known As: Ammonium, ((4-methyl-3,6-pyridazinediyl)bis(oxyethylene))bis(diethylmethyl-, dibromide, ((4-Methyl-3,6-pyridazinediyl)bis(oxyethylene))bis(diethylmethylammonium bromide), 2,2'-[(4-methylpyridazine-3,6-diyl)bis(oxy)]bis(n,n-diethyl-n-methylethanaminium) dibromide, 2-[6-[2-[diethyl(methyl)azaniumyl]ethoxy]-4-methylpyridazin-3-yl]oxyethyl-diethyl-methylazanium dibromide, N,N'-[(4-Methylpyridazine-3,6-diyl)bis(oxyethane-2,1-diyl)]bis(N-ethyl-N-methylethan-1-aminium) dibromide
| Molecular Formula | C19H38Br2N4O2 |
| Molecular Weight | 512.13617 g/mol |
| XLogP | -3.48 |
| Topological Polar Surface Area (TPSA) | 44.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 514.1341 Da |
| Heavy Atoms | 27 |
| Complexity | 359.0 |
| SMILES | CC[N+](C)(CC)CCOC1=NN=C(C(=C1)C)OCC[N+](C)(CC)CC.[Br-].[Br-] |
| InChIKey | JMYMNDNWPBLSFN-UHFFFAOYSA-L |
The XLogP value of -3.48 indicates that RefChem:318654 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.2 Ų, RefChem:318654 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:318654 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:318654 is 111528-95-1.
The molecular formula of RefChem:318654 is C19H38Br2N4O2.
The molecular weight of RefChem:318654 is 512.13617 g/mol.
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