TL;DR: Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl- (CAS 131604-17-6) is a chemical compound with molecular formula C31H26BrN5O2 and molecular weight 579.127 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
Also Known As: Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl-, 1-(4-((7-Bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenylpiperazine, 7-Bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4(3H)-one, 7-bromo-2-phenyl-3-[4-(4-phenylpiperazine-1-carbonyl)anilino]quinazolin-4-one
| Molecular Formula | C31H26BrN5O2 |
| Molecular Weight | 579.127 g/mol |
| XLogP | 6.2 |
| Topological Polar Surface Area (TPSA) | 68.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 579.127 Da |
| Heavy Atoms | 39 |
| Complexity | 885.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)C3=CC=C(C=C3)NN4C(=NC5=C(C4=O)C=CC(=C5)Br)C6=CC=CC=C6 |
| InChIKey | HECBHQNVBBNFAI-UHFFFAOYSA-N |
The XLogP value of 6.2 indicates that Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl-. Following Lipinski's Rule of Five, Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl- has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl- is 131604-17-6.
The molecular formula of Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl- is C31H26BrN5O2.
The molecular weight of Piperazine, 1-(4-((7-bromo-4-oxo-2-phenyl-3(4H)-quinazolinyl)amino)benzoyl)-4-phenyl- is 579.127 g/mol.
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