TL;DR: Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate (CAS 63681-05-0) is a chemical compound with molecular formula C17H26N3O5P and molecular weight 383.161 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyridin-2-ylethane-1,2-diamine;phosphoric acid
Also Known As: Neoantergan phosphate, 2786 R.P. phosphate, N-p-Methoxybenzyl-N-dimethylaminoethyl alpha-aminopyridine, Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate, N-alpha-Pyridyl-N-p-methoxybenzyl-N',N'-dimethylethylenediamine phosphate
| Molecular Formula | C17H26N3O5P |
| Molecular Weight | 383.161 g/mol |
| XLogP | 1.73 |
| Topological Polar Surface Area (TPSA) | 106.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.161 Da |
| Heavy Atoms | 26 |
| Complexity | 327.0 |
| SMILES | CN(C)CCN(CC1=CC=C(C=C1)OC)C2=CC=CC=N2.OP(=O)(O)O |
| InChIKey | GDOTWPAJJGIXFK-UHFFFAOYSA-N |
The XLogP value of 1.73 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate. Following Lipinski's Rule of Five, Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate is 63681-05-0.
The molecular formula of Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate is C17H26N3O5P.
The molecular weight of Pyridine, 2-((2-(dimethylamino)ethyl)(p-methoxybenzyl)amino)-, phosphate is 383.161 g/mol.
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