Quinolinium, 3-cyano-1-methyl-
TL;DR: Quinolinium, 3-cyano-1-methyl- (CAS 46176-64-1) is a chemical compound with molecular formula C11H9N2+ and molecular weight 169.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methylquinolin-1-ium-3-carbonitrile
Also Known As: Quinolinium, 3-cyano-1-methyl-, 3-Cyano-1-methylquinolinium, 3-CYANO-1-METHYLQUINOLIN-1-IUM, 1-methylquinoline-3-carbonitrile, 1-Methyl-3-cyanoquinoline-1-ium
| Molecular Formula | C11H9N2+ |
|---|---|
| Molecular Weight | 169.08 g/mol |
| LogP | 1.53598 |
| Topological Polar Surface Area | 27.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 169.07657 |
| Heavy Atoms | 13 |
| Complexity | 494.9067 |
Chemical Identifiers
| CAS Number | 46176-64-1 |
|---|---|
| SMILES | C[N+]1=CC(=CC2=CC=CC=C21)C#N |
Product Overview
Quinolinium, 3-cyano-1-methyl- (CAS 46176-64-1), with molecular formula C11H9N2+ and molecular weight 169.08 g/mol. IUPAC: 1-methylquinolin-1-ium-3-carbonitrile.
Chemical Property Profile of Quinolinium, 3-cyano-1-methyl-
Property Insights of Quinolinium, 3-cyano-1-methyl-
The XLogP value of 1.53598 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Quinolinium, 3-cyano-1-methyl-. With a topological polar surface area (TPSA) of 27.67 Ų, Quinolinium, 3-cyano-1-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Quinolinium, 3-cyano-1-methyl- has 0 hydrogen bond donor(s) and 1 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 Quinolinium, 3-cyano-1-methyl-?
The CAS number of Quinolinium, 3-cyano-1-methyl- is 46176-64-1.
What is the molecular formula of Quinolinium, 3-cyano-1-methyl-?
The molecular formula of Quinolinium, 3-cyano-1-methyl- is C11H9N2+.
What is the molecular weight of Quinolinium, 3-cyano-1-methyl-?
The molecular weight of Quinolinium, 3-cyano-1-methyl- is 169.08 g/mol.
Where can I buy Quinolinium, 3-cyano-1-methyl-?
You can request a quote for Quinolinium, 3-cyano-1-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Quinolinium, 3-cyano-1-methyl-?
Yes, KEHONG BIO provides custom synthesis services for Quinolinium, 3-cyano-1-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.