TL;DR: 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate) (CAS 21000-42-0) is a chemical compound with molecular formula C14H20N2O4P+ and molecular weight 311.11606 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl phosphate;1-methyl-4-(1-methylpyridin-1-ium-4-yl)pyridin-1-ium
Also Known As: Dipyridyl phosphate, Dipyridyl hydrogen phosphate, DIPYRIDYL PHOSPHONATE, Bis(O,O-dimethylphosphate)-N,N'-dimethyl-4,4'-dipyridyl, 4,4'-BIPYRIDINIUM, 1,1'-DIMETHYL-, BIS(DIMETHYLPHOSPHATE)
| Molecular Formula | C14H20N2O4P+ |
| Molecular Weight | 311.11606 g/mol |
| XLogP | 0.75 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.11606 Da |
| Heavy Atoms | 21 |
| Complexity | 219.0 |
| SMILES | C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COP(=O)([O-])OC |
| InChIKey | QMOPFCUJPOQWSX-UHFFFAOYSA-M |
The XLogP value of 0.75 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate). The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate). Following Lipinski's Rule of Five, 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate) 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 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate) is 21000-42-0.
The molecular formula of 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate) is C14H20N2O4P+.
The molecular weight of 4,4'-Bipyridinium, 1,1'-dimethyl-, bis(dimethyl phosphate) is 311.11606 g/mol.
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