TL;DR: 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride (CAS 133395-16-1) is a chemical compound with molecular formula C23H33ClN2 and molecular weight 372.23322 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-bis(1-adamantyl)imidazol-1-ium chloride
Also Known As: 1,3-Di(adamantan-1-yl)-1H-imidazol-3-ium chloride, (-)-TERACACIDIN, 1,3-BIS(1-ADAMANTYL)IMIDAZOLIUM CHLORIDE, 1,3-BIS IMIDAZOLIUMCHLORIDE, 1,3-bis(1-adamantyl)imidazol-1-ium;chloride
| Molecular Formula | C23H33ClN2 |
| Molecular Weight | 372.23322 g/mol |
| XLogP | 1.6302 |
| Topological Polar Surface Area (TPSA) | 8.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.23322 Da |
| Heavy Atoms | 26 |
| Complexity | 448.0 |
| SMILES | C1C2CC3CC1CC(C2)(C3)N4C=C[N+](=C4)C56CC7CC(C5)CC(C7)C6.[Cl-] |
| InChIKey | PGYYVTILCOIEOP-UHFFFAOYSA-M |
The XLogP value of 1.6302 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride. With a topological polar surface area (TPSA) of 8.8 Ų, 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride is 133395-16-1.
The molecular formula of 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride is C23H33ClN2.
The molecular weight of 1,3-Di(tricyclo(3.3.1.1~3,7~)decan-1-yl)-1H-imidazol-3-ium chloride is 372.23322 g/mol.
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