TL;DR: Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex (CAS 132695-73-9) is a chemical compound with molecular formula C19H38GaN2S2+ and molecular weight 426.17563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[[[1-[(2-ethyl-2-sulfidobutyl)amino]cyclohexyl]methylamino]methyl]pentane-3-thiolate;gallium-68(3+)
Also Known As: Ga(68)-Bat-tech, Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex, 3-[[[1-[(2-ethyl-2-sulfidobutyl)amino]cyclohexyl]methylamino]methyl]pentane-3-thiolate; gallium-68(3+), 3-[[[1-[(2-Ethyl-2-sulfidobutyl)amino]cyclohexyl]methylamino]methyl]pentane-3-thiolate;gallium-68(3+), 3-[[[1-[[(2-ethyl-2-sulfidobutyl)amino]methyl]cyclohexyl]amino]methyl]pentane-3-thiolate; gallium(+3) cation
| Molecular Formula | C19H38GaN2S2+ |
| Molecular Weight | 426.17563 g/mol |
| XLogP | 3.6991 |
| Topological Polar Surface Area (TPSA) | 26.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 426.17563 Da |
| Heavy Atoms | 24 |
| Complexity | 319.0 |
| SMILES | CCC(CC)(CNCC1(CCCCC1)NCC(CC)(CC)[S-])[S-].[68Ga+3] |
| InChIKey | MALQFRNERHLCPZ-ZQSXMSGHSA-L |
The XLogP value of 3.6991 indicates that Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.1 Ų, Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex is 132695-73-9.
The molecular formula of Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex is C19H38GaN2S2+.
The molecular weight of Bis(aminoethanethiol)tetraethyl-cyclohexyl-gallium(68) complex is 426.17563 g/mol.
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