8-Nitro-5-(piperazin-1-yl)quinoline
TL;DR: 8-Nitro-5-(piperazin-1-yl)quinoline (CAS 115686-87-8) 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.
8-nitro-5-piperazin-1-ylquinoline
Also Known As: (8-nitro-5-quinolyl)piperazine, 8-nitro-5-(1-piperazinyl)quinoline, 8-nitro-5-(piperazin-1-yl)quinoline, 8-Nitro-5-piperazin-1-yl-quinoline, 8-nitro-5-piperazin-1-ylquinoline
| Molecular Formula | C13H14N4O2 |
|---|---|
| Molecular Weight | 258.11 g/mol |
| LogP | 1.5526 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 258.11166 |
| Heavy Atoms | 19 |
| Complexity | 623.0694 |
Chemical Identifiers
| CAS Number | 115686-87-8 |
|---|---|
| SMILES | C1CN(CCN1)C2=C3C=CC=NC3=C(C=C2)[N+](=O)[O-] |
Product Overview
8-Nitro-5-(piperazin-1-yl)quinoline (CAS 115686-87-8), with molecular formula C13H14N4O2 and molecular weight 258.11 g/mol. IUPAC: 8-nitro-5-piperazin-1-ylquinoline.
Chemical Property Profile of 8-Nitro-5-(piperazin-1-yl)quinoline
Property Insights of 8-Nitro-5-(piperazin-1-yl)quinoline
The XLogP value of 1.5526 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Nitro-5-(piperazin-1-yl)quinoline. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Nitro-5-(piperazin-1-yl)quinoline. Following Lipinski's Rule of Five, 8-Nitro-5-(piperazin-1-yl)quinoline 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 8-Nitro-5-(piperazin-1-yl)quinoline?
The CAS number of 8-Nitro-5-(piperazin-1-yl)quinoline is 115686-87-8.
What is the molecular formula of 8-Nitro-5-(piperazin-1-yl)quinoline?
The molecular formula of 8-Nitro-5-(piperazin-1-yl)quinoline is C13H14N4O2.
What is the molecular weight of 8-Nitro-5-(piperazin-1-yl)quinoline?
The molecular weight of 8-Nitro-5-(piperazin-1-yl)quinoline is 258.11 g/mol.
Where can I buy 8-Nitro-5-(piperazin-1-yl)quinoline?
You can request a quote for 8-Nitro-5-(piperazin-1-yl)quinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Nitro-5-(piperazin-1-yl)quinoline?
Yes, KEHONG BIO provides custom synthesis services for 8-Nitro-5-(piperazin-1-yl)quinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.