TL;DR: N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1) (CAS 158882-74-7) is a chemical compound with molecular formula C44H82Br2I2N2Pb-4 and molecular weight 1258.27 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
Also Known As: N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1), benzene; lead; tetrabutylazanium; dibromide; diiodide, 1-Butanaminium, N,N,N-tributyl-, dibromodiiododiphenylplumbate(2-) (2:1)
| Molecular Formula | C44H82Br2I2N2Pb-4 |
| Molecular Weight | 1258.27 g/mol |
| XLogP | 0.61598 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 24 |
| Exact Mass | 1258.27 Da |
| Heavy Atoms | 51 |
| Complexity | 208.0 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.[Br-].[Br-].[I-].[I-].[Pb] |
| InChIKey | YYRVIZDURXWYQK-UHFFFAOYSA-J |
The XLogP value of 0.61598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1). With a topological polar surface area (TPSA) of 0.0 Ų, N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1) has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1) is 158882-74-7.
The molecular formula of N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1) is C44H82Br2I2N2Pb-4.
The molecular weight of N,N,N-Tributyl-1-butanaminium dibromodiiododiphenylplumbate(2-) (2:1) is 1258.27 g/mol.
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