2-Methylisoquinolinium chloride
TL;DR: 2-Methylisoquinolinium chloride (CAS 50316-67-1) is a chemical compound with molecular formula C10H10ClN and molecular weight 179.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylisoquinolin-2-ium chloride
Also Known As: 2-Methylisoquinolinium chloride, 2-methylisoquinolin-2-ium chloride, Isoquinolinium, 2-methyl-, chloride
| Molecular Formula | C10H10ClN |
|---|---|
| Molecular Weight | 179.05 g/mol |
| LogP | -1.3317 |
| Topological Polar Surface Area | 3.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 179.05017 |
| Heavy Atoms | 12 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 50316-67-1 |
|---|---|
| SMILES | C[N+]1=CC2=CC=CC=C2C=C1.[Cl-] |
| InChIKey | HENQCFCCHNDZKS-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methylisoquinolinium chloride (CAS 50316-67-1), with molecular formula C10H10ClN and molecular weight 179.05 g/mol. IUPAC: 2-methylisoquinolin-2-ium chloride.
Chemical Property Profile of 2-Methylisoquinolinium chloride
Property Insights of 2-Methylisoquinolinium chloride
The XLogP value of -1.3317 indicates that 2-Methylisoquinolinium chloride 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, 2-Methylisoquinolinium chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylisoquinolinium chloride 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 2-Methylisoquinolinium chloride?
The CAS number of 2-Methylisoquinolinium chloride is 50316-67-1.
What is the molecular formula of 2-Methylisoquinolinium chloride?
The molecular formula of 2-Methylisoquinolinium chloride is C10H10ClN.
What is the molecular weight of 2-Methylisoquinolinium chloride?
The molecular weight of 2-Methylisoquinolinium chloride is 179.05 g/mol.
Where can I buy 2-Methylisoquinolinium chloride?
You can request a quote for 2-Methylisoquinolinium chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methylisoquinolinium chloride?
Yes, KEHONG BIO provides custom synthesis services for 2-Methylisoquinolinium chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.