6-硝基喹哌嗪
TL;DR: 6-硝基喹哌嗪 (CAS 77372-73-7) is a chemical compound with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-硝基喹哌嗪
6-nitro-2-piperazin-1-ylquinoline
Also Known As: 6-nitroquipazine, 6-Nitro-2-piperazin-1-yl-quinoline, 6-nitro-2-(piperazin-1-yl)quinoline, 6-nitro-2-piperazin-1-ylquinoline, Lopac-Q-109
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 74.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 77372-73-7 |
|---|---|
| SMILES | C1CN(CCN1)C2=NC3=C(C=C2)C=C(C=C3)[N+](=O)[O-] |
| InChIKey | GGDBEAVVGFNWIA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
6-硝基喹哌嗪 (CAS 77372-73-7), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: 6-nitro-2-piperazin-1-ylquinoline.
Chemical Property Profile of 6-硝基喹哌嗪
Property Insights of 6-硝基喹哌嗪
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-硝基喹哌嗪. The TPSA of 74.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-硝基喹哌嗪. Following Lipinski's Rule of Five, 6-硝基喹哌嗪 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6-硝基喹哌嗪?
The CAS number of 6-硝基喹哌嗪 is 77372-73-7.
What is the molecular formula of 6-硝基喹哌嗪?
The molecular formula of 6-硝基喹哌嗪 is C13H14N4O2.
What is the molecular weight of 6-硝基喹哌嗪?
The molecular weight of 6-硝基喹哌嗪 is 258.11 g/mol.
Where can I buy 6-硝基喹哌嗪?
You can request a quote for 6-硝基喹哌嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-硝基喹哌嗪?
Yes, KEHONG BIO provides custom synthesis services for 6-硝基喹哌嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.