TL;DR: Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)- (CAS 14549-72-5) is a chemical compound with molecular formula C16H19BrN4 and molecular weight 346.0793 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-bromo-4-[4-(4-methylphenyl)piperazin-1-yl]pyridin-3-amine
Also Known As: Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)-, 1-(3-Amino-5-bromo-4-pyridyl)-4-(p-tolyl)piperazine, 4-(p-Tolyl)-1-(3-amino-5-bromo-4-pyridyl)piperazine, 5-bromo-4-[4-(4-methylphenyl)piperazin-1-yl]pyridin-3-amine, 5-23-03-00097 (Beilstein Handbook Reference)
| Molecular Formula | C16H19BrN4 |
| Molecular Weight | 346.0793 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 45.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 346.0793 Da |
| Heavy Atoms | 21 |
| Complexity | 324.0 |
| SMILES | CC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=NC=C3N)Br |
| InChIKey | IBAXMBJWBAUBDE-UHFFFAOYSA-N |
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)-. With a topological polar surface area (TPSA) of 45.4 Ų, Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)- has 1 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 Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)- is 14549-72-5.
The molecular formula of Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)- is C16H19BrN4.
The molecular weight of Piperazine, 1-(3-amino-5-bromo-4-pyridyl)-4-(p-tolyl)- is 346.0793 g/mol.
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