TL;DR: 4-Bromo-6-nitroquipazine (CAS 143954-73-8) is a chemical compound with molecular formula C13H13BrN4O2 and molecular weight 336.0222 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-bromo-6-nitro-2-piperazin-1-ylquinoline
Also Known As: 4-Bromo-6-nitroquipazine, 4-Bromo-6-nitro-2-piperazin-1-yl-quinoline, Quinoline, 4-bromo-6-nitro-2-(1-piperazinyl)-, 2-Piperazino-4-bromo-6-nitroquinoline, 4-bromo-6-nitro-2-piperazin-1-ylquinoline
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
| Molecular Formula | C13H13BrN4O2 |
| Molecular Weight | 336.0222 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 336.0222 Da |
| Heavy Atoms | 20 |
| Complexity | 359.0 |
| SMILES | C1CN(CCN1)C2=NC3=C(C=C(C=C3)[N+](=O)[O-])C(=C2)Br |
| InChIKey | NRCNLRMWSMFETI-UHFFFAOYSA-N |
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Bromo-6-nitroquipazine. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Bromo-6-nitroquipazine. Following Lipinski's Rule of Five, 4-Bromo-6-nitroquipazine has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4-Bromo-6-nitroquipazine is 143954-73-8.
The molecular formula of 4-Bromo-6-nitroquipazine is C13H13BrN4O2.
The molecular weight of 4-Bromo-6-nitroquipazine is 336.0222 g/mol.
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