3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline
TL;DR: 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline (CAS 214476-08-1) is a chemical compound with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile
Also Known As: 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline, 7-ETHOXY-4-HYDROXY-6-NITROQUINOLINE-3-CARBONITRILE, zlchem 1353, 7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile, 3-Quinolinecarbonitrile, 7-ethoxy-4-hydroxy-6-nitro-
| Molecular Formula | C12H9N3O4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.70668 |
| Topological Polar Surface Area | 109.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0593 |
| Heavy Atoms | 19 |
| Complexity | 757.88416 |
Chemical Identifiers
| CAS Number | 214476-08-1 |
|---|---|
| SMILES | CCOC1=C(C=C2C(=C1)NC=C(C2=O)C#N)[N+](=O)[O-] |
Product Overview
3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline (CAS 214476-08-1), with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol. IUPAC: 7-ethoxy-6-nitro-4-oxo-1H-quinoline-3-carbonitrile.
Chemical Property Profile of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline
Property Insights of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline
The XLogP value of 1.70668 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline. The TPSA of 109.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline. Following Lipinski's Rule of Five, 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline 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 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline?
The CAS number of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline is 214476-08-1.
What is the molecular formula of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline?
The molecular formula of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline is C12H9N3O4.
What is the molecular weight of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline?
The molecular weight of 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline is 259.06 g/mol.
Where can I buy 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline?
You can request a quote for 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-7-ethoxy-4-hydroxy-6-nitroquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.