N-Methylisoquinolinium iodide
TL;DR: N-Methylisoquinolinium iodide (CAS 3947-77-1) is a chemical compound with molecular formula C10H10IN and molecular weight 270.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylisoquinolin-2-ium iodide
Also Known As: 2-Methylisoquinolinium iodide, 2-methylisoquinolin-2-ium iodide, Isoquinoline methiodide, 2-methylisoquinoliniumiodide, Cn1ccc2ccccc2c1
| Molecular Formula | C10H10IN |
|---|---|
| Molecular Weight | 270.99 g/mol |
| LogP | -1.33 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 270.9858 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 3947-77-1 |
|---|---|
| SMILES | C[N+]1=CC2=CC=CC=C2C=C1.[I-] |
| InChIKey | ITZIDCFSZHTXJH-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-Methylisoquinolinium iodide (CAS 3947-77-1), with molecular formula C10H10IN and molecular weight 270.99 g/mol. IUPAC: 2-methylisoquinolin-2-ium iodide.
Chemical Property Profile of N-Methylisoquinolinium iodide
Property Insights of N-Methylisoquinolinium iodide
The XLogP value of -1.33 indicates that N-Methylisoquinolinium iodide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 3.9 Ų, N-Methylisoquinolinium iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylisoquinolinium iodide 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 N-Methylisoquinolinium iodide?
The CAS number of N-Methylisoquinolinium iodide is 3947-77-1.
What is the molecular formula of N-Methylisoquinolinium iodide?
The molecular formula of N-Methylisoquinolinium iodide is C10H10IN.
What is the molecular weight of N-Methylisoquinolinium iodide?
The molecular weight of N-Methylisoquinolinium iodide is 270.99 g/mol.
Where can I buy N-Methylisoquinolinium iodide?
You can request a quote for N-Methylisoquinolinium iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylisoquinolinium iodide?
Yes, KEHONG BIO provides custom synthesis services for N-Methylisoquinolinium iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.