TL;DR: Piribedil Impurity 23 (CAS 1022849-90-6) is a chemical compound with molecular formula C16H18N4O2 and molecular weight 298.14297 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]pyrimidine
Also Known As: Piribedil Impurity 23, AB00036731-01, 2-[4-(1,3-benzodioxol-4-ylmethyl)piperazin-1-yl]pyrimidine, 2-[4-(benzo[1,3]dioxol-4-ylmethyl)piperazin-1-yl]pyrimidine, 2-(4-(benzo[d][1,3]dioxol-4-ylmethyl)piperazin-1-yl)pyrimidine
| Molecular Formula | C16H18N4O2 |
| Molecular Weight | 298.14297 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 50.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.14297 Da |
| Heavy Atoms | 22 |
| Complexity | 356.0 |
| SMILES | C1CN(CCN1CC2=C3C(=CC=C2)OCO3)C4=NC=CC=N4 |
| InChIKey | AWECHGYIWRYLSC-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piribedil Impurity 23. With a topological polar surface area (TPSA) of 50.7 Ų, Piribedil Impurity 23 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piribedil Impurity 23 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piribedil Impurity 23 is 1022849-90-6.
The molecular formula of Piribedil Impurity 23 is C16H18N4O2.
The molecular weight of Piribedil Impurity 23 is 298.14297 g/mol.
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