TL;DR: RefChem:319383 (CAS 67011-25-0) is a chemical compound with molecular formula C38H78Br2N2O2 and molecular weight 752.443 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxyethyl-[6-[2-hydroxyethyl-methyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl]-methyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide
Also Known As: Ammonium, hexamethylenebis(1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl)bis((2-hydroxyethyl)methyl-, dibromide, 2-hydroxyethyl-[6-[2-hydroxyethyl-methyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azaniumyl]hexyl]-methyl-[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]azanium dibromide, AMMONIUM, HEXAMETHYLENEBIS(1-METHYL-3-(2,2,6-TRIMETHYLCYCLOHEXYL)PROPYL)BIS((2-H, 1,6-Hexanediaminium, N,N'-bis(2-hydroxyethyl)-N,N'-dimethyl-N,N'-bis[1-methyl-3-(2,2,6-trimethylcyclohexyl)propyl]-, dibromide, N~1~,N~6~-Bis(2-hydroxyethyl)-N~1~,N~6~-dimethyl-N~1~,N~6~-bis[4-(2,2,6-trimethylcyclohexyl)butan-2-yl]hexane-1,6-bis(aminium) dibromide
| Molecular Formula | C38H78Br2N2O2 |
| Molecular Weight | 752.443 g/mol |
| XLogP | 2.69 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 19 |
| Exact Mass | 754.441 Da |
| Heavy Atoms | 44 |
| Complexity | 691.0 |
| SMILES | CC1CCCC(C1CCC(C)[N+](C)(CCCCCC[N+](C)(CCO)C(C)CCC2C(CCCC2(C)C)C)CCO)(C)C.[Br-].[Br-] |
| InChIKey | LRRVJQMTTTZNSI-UHFFFAOYSA-L |
The XLogP value of 2.69 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:319383. With a topological polar surface area (TPSA) of 40.5 Ų, RefChem:319383 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:319383 has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of RefChem:319383 is 67011-25-0.
The molecular formula of RefChem:319383 is C38H78Br2N2O2.
The molecular weight of RefChem:319383 is 752.443 g/mol.
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