TL;DR: 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide (CAS 15199-21-0) is a chemical compound with molecular formula C8H18N3OP and molecular weight 203.11874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2,4,6,7-tetramethyl-2,6,7-triaza-1λ5-phosphabicyclo[2.2.2]octane 1-oxide
Also Known As: 2,4,6,7-tetramethyl-2,6,7-triaza-1, 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide, 2,4,6,7-Tetramethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octane1-oxide, 2,4,6,7-tetramethyl-2,6,7-triaza-1-phosphabicyclo[2.2.2]octan-1-ium-1-olate, 2,4,6,7-Tetramethyl-2,6,7-triaza-1lambda~5~-phosphabicyclo[2.2.2]octan-1-one
| Molecular Formula | C8H18N3OP |
| Molecular Weight | 203.11874 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 26.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 203.11874 Da |
| Heavy Atoms | 13 |
| Complexity | 240.0 |
| SMILES | CC12CN(P(=O)(N(C1)C)N(C2)C)C |
| InChIKey | UHYHAPCVKDWEIB-UHFFFAOYSA-N |
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide. With a topological polar surface area (TPSA) of 26.8 Ų, 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide has 0 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 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide is 15199-21-0.
The molecular formula of 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide is C8H18N3OP.
The molecular weight of 4-N,N',N''-Tetramethyl-2,6,7-triaza-1-phosphabicyclo(2.2.2)octane 1-oxide is 203.11874 g/mol.
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