TL;DR: Ammonium, (oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide (CAS 108040-77-3) is a chemical compound with molecular formula C32H50Cl2I2N4O2 and molecular weight 846.14 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2-chlorophenyl)methyl-[4-[[2-[4-[(2-chlorophenyl)methyl-diethylazaniumyl]butylamino]-2-oxoacetyl]amino]butyl]-diethylazanium diiodide
Also Known As: (Oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethylammonium iodide), AMMONIUM, (OXALYLBIS(IMINOTETRAMETHYLENE))BIS((o-CHLOROBENZYL)DIETHYL-, DIIODIDE, (2-chlorophenyl)methyl-[4-[[2-[4-[(2-chlorophenyl)methyl-diethylazaniumyl]butylamino]-2-oxoacetyl]amino]butyl]-diethylazanium diiodide, 4,4'-[(1,2-dioxoethane-1,2-diyl)diimino]bis[n-(2-chlorobenzyl)-n,n-diethylbutan-1-aminium] diiodide
| Molecular Formula | C32H50Cl2I2N4O2 |
| Molecular Weight | 846.14 g/mol |
| XLogP | 0.21 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 846.14 Da |
| Heavy Atoms | 42 |
| Complexity | 670.0 |
| SMILES | CC[N+](CC)(CCCCNC(=O)C(=O)NCCCC[N+](CC)(CC)CC1=CC=CC=C1Cl)CC2=CC=CC=C2Cl.[I-].[I-] |
| InChIKey | KOGQMMATBIEDQI-UHFFFAOYSA-N |
The XLogP value of 0.21 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide. With a topological polar surface area (TPSA) of 58.2 Ų, Ammonium, (oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide 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(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide is 108040-77-3.
The molecular formula of Ammonium, (oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide is C32H50Cl2I2N4O2.
The molecular weight of Ammonium, (oxalylbis(iminotetramethylene))bis((o-chlorobenzyl)diethyl-, diiodide is 846.14 g/mol.
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