1,2-Dimethylquinolin-1-ium
TL;DR: 1,2-Dimethylquinolin-1-ium (CAS 876-87-9) is a chemical compound with molecular formula C11H12N+ and molecular weight 158.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dimethylquinolin-1-ium
Also Known As: 1,2-Dimethylquinolinium iodide, 1,2-dimethylquinoline, 1,2-dimethylquinolin-1-ium, 1,2-dimethylquinolinium, 1-methyl quinaldinium iodide
| Molecular Formula | C11H12N+ |
|---|---|
| Molecular Weight | 158.10 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.09697 |
| Heavy Atoms | 12 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 876-87-9 |
|---|---|
| SMILES | CC1=[N+](C2=CC=CC=C2C=C1)C |
| InChIKey | KEOLYURDXNRJEY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dimethylquinolin-1-ium (CAS 876-87-9), with molecular formula C11H12N+ and molecular weight 158.10 g/mol. IUPAC: 1,2-dimethylquinolin-1-ium.
Chemical Property Profile of 1,2-Dimethylquinolin-1-ium
Property Insights of 1,2-Dimethylquinolin-1-ium
The XLogP value of 3.1 indicates that 1,2-Dimethylquinolin-1-ium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.9 Ų, 1,2-Dimethylquinolin-1-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dimethylquinolin-1-ium has 0 hydrogen bond donor(s) and 0 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 1,2-Dimethylquinolin-1-ium?
The CAS number of 1,2-Dimethylquinolin-1-ium is 876-87-9.
What is the molecular formula of 1,2-Dimethylquinolin-1-ium?
The molecular formula of 1,2-Dimethylquinolin-1-ium is C11H12N+.
What is the molecular weight of 1,2-Dimethylquinolin-1-ium?
The molecular weight of 1,2-Dimethylquinolin-1-ium is 158.10 g/mol.
Where can I buy 1,2-Dimethylquinolin-1-ium?
You can request a quote for 1,2-Dimethylquinolin-1-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dimethylquinolin-1-ium?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dimethylquinolin-1-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.