TL;DR: N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) (CAS 158882-72-5) is a chemical compound with molecular formula C35H51N5PbS-4 and molecular weight 781.36316 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 azidotriphenyl(thiocyanato-N)plumbate(1-), benzene; lead; tetrabutylazanium; azide; thiocyanate, 1-Butanaminium, N,N,N-tributyl-, azidotriphenyl(thiocyanato-N)plumbate(1-)
| Molecular Formula | C35H51N5PbS-4 |
| Molecular Weight | 781.36316 g/mol |
| XLogP | 9.96365 |
| Topological Polar Surface Area (TPSA) | 27.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 12 |
| Exact Mass | 781.36316 Da |
| Heavy Atoms | 42 |
| Complexity | 255.0 |
| SMILES | CCCC[N+](CCCC)(CCCC)CCCC.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C1=CC=[C-]C=C1.C(#N)[S-].[N-]=[N+]=[N-].[Pb] |
| InChIKey | XWMRPWUCFKHHQX-UHFFFAOYSA-M |
The XLogP value of 9.96365 indicates that N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 27.8 Ų, N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) is 158882-72-5.
The molecular formula of N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) is C35H51N5PbS-4.
The molecular weight of N,N,N-Tributyl-1-butanaminium azidotriphenyl(thiocyanato-N)plumbate(1-) is 781.36316 g/mol.
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