TL;DR: Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide (CAS 106978-54-5) is a chemical compound with molecular formula C28H42Br2I2N4O2 and molecular weight 877.9764 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[2-[2-[diethyl-[(2-iodophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-iodophenyl)methyl]azanium dibromide
Also Known As: AMMONIUM, (OXALYLBIS(IMINOETHYLENE))BIS(DIETHYL(o-IODOBENZYL)-, DIBROMIDE, (Oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)ammonium bromide), 2-[[2-[2-[diethyl-[(2-iodophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-iodophenyl)methyl]azanium;dibromide, 2,2'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[n,n-diethyl-n-(2-iodobenzyl)ethanaminium] dibromide, 2-[[2-[2-[diethyl-[(2-iodophenyl)methyl]azaniumyl]ethylamino]-2-oxoacetyl]amino]ethyl-diethyl-[(2-iodophenyl)methyl]azanium dibromide
| Molecular Formula | C28H42Br2I2N4O2 |
| Molecular Weight | 877.9764 g/mol |
| XLogP | -1.45 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 879.97437 Da |
| Heavy Atoms | 38 |
| Complexity | 614.0 |
| SMILES | CC[N+](CC)(CCNC(=O)C(=O)NCC[N+](CC)(CC)CC1=CC=CC=C1I)CC2=CC=CC=C2I.[Br-].[Br-] |
| InChIKey | KSOXZNGVGGGTMP-UHFFFAOYSA-N |
The XLogP value of -1.45 indicates that Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.2 Ų, Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide is 106978-54-5.
The molecular formula of Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide is C28H42Br2I2N4O2.
The molecular weight of Ammonium, (oxalylbis(iminoethylene))bis(diethyl(o-iodobenzyl)-, dibromide is 877.9764 g/mol.
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