TL;DR: RefChem:319365 (CAS 67011-28-3) is a chemical compound with molecular formula C36H72Cl2N4O2 and molecular weight 662.50323 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-[2-[[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride
Also Known As: Ammonium, ethylenebis(iminocarbonylmethylene)bis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis(dimethyl-, dichloride, [2-[2-[[2-[Dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumdichloride, AMMONIUM, ETHYLENEBIS(IMINOCARBONYLMETHYLENE)BIS(1-METHYL-3-(2,2,6-TRIMETHYLCYCL, [2-[2-[[2-[dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]acetyl]amino]ethylamino]-2-oxoethyl]-dimethyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dichloride, Cyclohexanepropanaminium, N,N'-[1,2-ethanediylbis[imino(2-oxo-2,1-ethanediyl)]]bis[N,N,.alpha.,2,2,6-hexamethyl-, dichloride
| Molecular Formula | C36H72Cl2N4O2 |
| Molecular Weight | 662.50323 g/mol |
| XLogP | 0.64 |
| Topological Polar Surface Area (TPSA) | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 662.50323 Da |
| Heavy Atoms | 44 |
| Complexity | 794.0 |
| SMILES | CC1CCCC(C1CCC(C)[N+](C)(C)CC(=O)NCCNC(=O)C[N+](C)(C)C(C)CCC2C(CCCC2(C)C)C)(C)C.[Cl-].[Cl-] |
| InChIKey | IIPAQNHNCJWMTQ-UHFFFAOYSA-N |
The XLogP value of 0.64 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319365. With a topological polar surface area (TPSA) of 58.2 Ų, RefChem:319365 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319365 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:319365 is 67011-28-3.
The molecular formula of RefChem:319365 is C36H72Cl2N4O2.
The molecular weight of RefChem:319365 is 662.50323 g/mol.
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