TL;DR: Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide (CAS 101756-16-5) is a chemical compound with molecular formula C30H42Br2N2 and molecular weight 588.17145 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl-[[4-[[benzyl(diethyl)azaniumyl]methyl]phenyl]methyl]-diethylazanium dibromide
Also Known As: (p-Phenylenedimethylene)bis(benzyldiethylammonium bromide), AMMONIUM, (p-PHENYLENEDIMETHYLENE)BIS(BENZYLDIETHYL-, DIBROMIDE, benzyl-[[4-[[benzyl(diethyl)azaniumyl]methyl]phenyl]methyl]-diethylazanium dibromide, n,n'-(benzene-1,4-diyldimethanediyl)bis(n-benzyl-n-ethylethanaminium) dibromide, N,N'-[1,4-Phenylenebis(methylene)]bis(N-benzyl-N-ethylethan-1-aminium) dibromide
| Molecular Formula | C30H42Br2N2 |
| Molecular Weight | 588.17145 g/mol |
| XLogP | 0.81 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 12 |
| Exact Mass | 590.16943 Da |
| Heavy Atoms | 34 |
| Complexity | 441.0 |
| SMILES | CC[N+](CC)(CC1=CC=CC=C1)CC2=CC=C(C=C2)C[N+](CC)(CC)CC3=CC=CC=C3.[Br-].[Br-] |
| InChIKey | YTEOOPRSYCAFSZ-UHFFFAOYSA-L |
The XLogP value of 0.81 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide. With a topological polar surface area (TPSA) of 0.0 Ų, Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide is 101756-16-5.
The molecular formula of Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide is C30H42Br2N2.
The molecular weight of Ammonium, (p-phenylenedimethylene)bis(benzyldiethyl-, dibromide is 588.17145 g/mol.
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