3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile
TL;DR: 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile (CAS 20844-06-8) is a chemical compound with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methoxy-1-oxidoquinolin-1-ium-4-carbonitrile
Also Known As: 3-Methoxy-4-cyanoquinoline 1-oxide, 4-Cyano-3-methoxyquinoline 1-oxide, 3-methoxy-1-oxy-quinoline-4-carbonitrile, 4-cyano-3-methoxyquinolin-1-ium-1-olate, 3-Methoxy-4-quinolinecarbonitrile 1-oxide
| Molecular Formula | C11H8N2O2 |
|---|---|
| Molecular Weight | 200.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 58.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 200.05858 |
| Heavy Atoms | 15 |
| Complexity | 273.0 |
Chemical Identifiers
| CAS Number | 20844-06-8 |
|---|---|
| SMILES | COC1=C(C2=CC=CC=C2[N+](=C1)[O-])C#N |
| InChIKey | ZGJDJENXNWQXMS-UHFFFAOYSA-N |
Product Overview
3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile (CAS 20844-06-8), with molecular formula C11H8N2O2 and molecular weight 200.06 g/mol. IUPAC: 3-methoxy-1-oxidoquinolin-1-ium-4-carbonitrile.
Chemical Property Profile of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile
Property Insights of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile. With a topological polar surface area (TPSA) of 58.5 Ų, 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile?
The CAS number of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile is 20844-06-8.
What is the molecular formula of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile?
The molecular formula of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile is C11H8N2O2.
What is the molecular weight of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile?
The molecular weight of 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile is 200.06 g/mol.
Where can I buy 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile?
You can request a quote for 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1-oxidoquinolin-1-ium-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.