4-Cyano-3-nitroquinoline
TL;DR: 4-Cyano-3-nitroquinoline (CAS 20844-04-6) is a chemical compound with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitroquinoline-4-carbonitrile
Also Known As: 4-Cyano-3-nitroquinoline, 3-nitroquinoline-4-carbonitrile, 3-Nitro-4-quinolinecarbonitrile, 4-Quinolinecarbonitrile, 3-nitro-, 3-Nitro-4-quinolinecarbonitrile #
| Molecular Formula | C10H5N3O2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 199.03818 |
| Heavy Atoms | 15 |
| Complexity | 304.0 |
Chemical Identifiers
| CAS Number | 20844-04-6 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(C=N2)[N+](=O)[O-])C#N |
| InChIKey | JXECVBKEHHZQFE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyano-3-nitroquinoline (CAS 20844-04-6), with molecular formula C10H5N3O2 and molecular weight 199.04 g/mol. IUPAC: 3-nitroquinoline-4-carbonitrile.
Chemical Property Profile of 4-Cyano-3-nitroquinoline
Property Insights of 4-Cyano-3-nitroquinoline
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-3-nitroquinoline. The TPSA of 82.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Cyano-3-nitroquinoline. Following Lipinski's Rule of Five, 4-Cyano-3-nitroquinoline has 0 hydrogen bond donor(s) and 4 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 4-Cyano-3-nitroquinoline?
The CAS number of 4-Cyano-3-nitroquinoline is 20844-04-6.
What is the molecular formula of 4-Cyano-3-nitroquinoline?
The molecular formula of 4-Cyano-3-nitroquinoline is C10H5N3O2.
What is the molecular weight of 4-Cyano-3-nitroquinoline?
The molecular weight of 4-Cyano-3-nitroquinoline is 199.04 g/mol.
Where can I buy 4-Cyano-3-nitroquinoline?
You can request a quote for 4-Cyano-3-nitroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyano-3-nitroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyano-3-nitroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.