N-Methylisoquinolinium
TL;DR: N-Methylisoquinolinium (CAS 33718-23-9) is a chemical compound with molecular formula C10H10N+ and molecular weight 144.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylisoquinolin-2-ium
Also Known As: N-Methylisoquinolinium, 2-methylisoquinolin-2-ium, 2-Methylisoquinolinium, N-MIQ, 2-methylisoquinoline
| Molecular Formula | C10H10N+ |
|---|---|
| Molecular Weight | 144.08 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.08133 |
| Heavy Atoms | 11 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 33718-23-9 |
|---|---|
| SMILES | C[N+]1=CC2=CC=CC=C2C=C1 |
| InChIKey | ZONQVNWUCWMRBX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methylisoquinolinium (CAS 33718-23-9), with molecular formula C10H10N+ and molecular weight 144.08 g/mol. IUPAC: 2-methylisoquinolin-2-ium.
Chemical Property Profile of N-Methylisoquinolinium
Property Insights of N-Methylisoquinolinium
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylisoquinolinium. With a topological polar surface area (TPSA) of 3.9 Ų, N-Methylisoquinolinium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylisoquinolinium 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 N-Methylisoquinolinium?
The CAS number of N-Methylisoquinolinium is 33718-23-9.
What is the molecular formula of N-Methylisoquinolinium?
The molecular formula of N-Methylisoquinolinium is C10H10N+.
What is the molecular weight of N-Methylisoquinolinium?
The molecular weight of N-Methylisoquinolinium is 144.08 g/mol.
Where can I buy N-Methylisoquinolinium?
You can request a quote for N-Methylisoquinolinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylisoquinolinium?
Yes, KEHONG BIO provides custom synthesis services for N-Methylisoquinolinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.