TL;DR: Magnesium ionophore VI (CAS 151058-38-7) is a chemical compound with molecular formula C63H96N6O6 and molecular weight 1032.7391 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-(1-adamantyl)-N-[5-[3,5-bis[5-[[3-[1-adamantyl(methyl)amino]-3-oxopropanoyl]amino]pentyl]phenyl]pentyl]-N'-methylpropanediamide
Also Known As: Magnesium ionophore VI, ETH 5506, J1.249.449A, N'-(1-adamantyl)-N-[5-[3,5-bis[5-[[3-[1-adamantyl(methyl)amino]-3-oxopropanoyl]amino]pentyl]phenyl]pentyl]-N'-methylpropanediamide, 1,3,5-Tris[10-(1-adamantyl)-7,9-dioxo-6,10-diazaundecyl]benzene
| Molecular Formula | C63H96N6O6 |
| Molecular Weight | 1032.7391 g/mol |
| XLogP | 11.3 |
| Topological Polar Surface Area (TPSA) | 148.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 27 |
| Exact Mass | 1032.7391 Da |
| Heavy Atoms | 75 |
| Complexity | 1680.0 |
| SMILES | CN(C(=O)CC(=O)NCCCCCC1=CC(=CC(=C1)CCCCCNC(=O)CC(=O)N(C)C23CC4CC(C2)CC(C4)C3)CCCCCNC(=O)CC(=O)N(C)C56CC7CC(C5)CC(C7)C6)C89CC1CC(C8)CC(C1)C9 |
| InChIKey | ODMHCQNFQKBJOO-UHFFFAOYSA-N |
The XLogP value of 11.3 indicates that Magnesium ionophore VI is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 148.0 Ų indicates high polarity, suggesting Magnesium ionophore VI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Magnesium ionophore VI has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Magnesium ionophore VI is 151058-38-7.
The molecular formula of Magnesium ionophore VI is C63H96N6O6.
The molecular weight of Magnesium ionophore VI is 1032.7391 g/mol.
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