TL;DR: (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride (CAS 130547-46-5) is a chemical compound with molecular formula C44H38Cl2P2 and molecular weight 698.18256 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
triphenyl-[[4-(triphenylphosphaniumylmethyl)phenyl]methyl]phosphanium dichloride
Also Known As: p-Xylylenebis(triphenylphosphonium chloride), (1,4-Phenylenebis(methylene))bis(triphenylphosphonium) chloride, KST-1A1689, 7624AA, Phosphonium, p-xylylenebis(triphenyl-, dichloride
Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C44H38Cl2P2 |
| Molecular Weight | 698.18256 g/mol |
| XLogP | 2.6828 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 10 |
| Exact Mass | 698.18256 Da |
| Heavy Atoms | 48 |
| Complexity | 689.0 |
| SMILES | C1=CC=C(C=C1)[P+](CC2=CC=C(C=C2)C[P+](C3=CC=CC=C3)(C4=CC=CC=C4)C5=CC=CC=C5)(C6=CC=CC=C6)C7=CC=CC=C7.[Cl-].[Cl-] |
| InChIKey | IUNJPQCPINLADS-UHFFFAOYSA-L |
The XLogP value of 2.6828 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride. With a topological polar surface area (TPSA) of 0.0 Ų, (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride is 130547-46-5.
The molecular formula of (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride is C44H38Cl2P2.
The molecular weight of (p-Phenylenebis(methylene))bis(triphenylphosphonium) dichloride is 698.18256 g/mol.
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