2-Ethylisoquinolin-2-ium
TL;DR: 2-Ethylisoquinolin-2-ium (CAS 46046-32-6) 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.
2-ethylisoquinolin-2-ium
Also Known As: 2-ethylisoquinolinium, 2-ethylisoquinolin-2-ium, Isoquinolinium,2-ethyl-, 2-Ethylisoquinoline-2-ium, Isoquinolinium, 2-ethyl- (9CI)
| Molecular Formula | C11H12N+ |
|---|---|
| Molecular Weight | 158.10 g/mol |
| LogP | 2.1472 |
| Topological Polar Surface Area | 3.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 158.09697 |
| Heavy Atoms | 12 |
| Complexity | 392.88116 |
Chemical Identifiers
| CAS Number | 46046-32-6 |
|---|---|
| SMILES | CC[N+]1=CC2=CC=CC=C2C=C1 |
Product Overview
2-Ethylisoquinolin-2-ium (CAS 46046-32-6), with molecular formula C11H12N+ and molecular weight 158.10 g/mol. IUPAC: 2-ethylisoquinolin-2-ium.
Chemical Property Profile of 2-Ethylisoquinolin-2-ium
Property Insights of 2-Ethylisoquinolin-2-ium
The XLogP value of 2.1472 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Ethylisoquinolin-2-ium. With a topological polar surface area (TPSA) of 3.88 Ų, 2-Ethylisoquinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylisoquinolin-2-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 2-Ethylisoquinolin-2-ium?
The CAS number of 2-Ethylisoquinolin-2-ium is 46046-32-6.
What is the molecular formula of 2-Ethylisoquinolin-2-ium?
The molecular formula of 2-Ethylisoquinolin-2-ium is C11H12N+.
What is the molecular weight of 2-Ethylisoquinolin-2-ium?
The molecular weight of 2-Ethylisoquinolin-2-ium is 158.10 g/mol.
Where can I buy 2-Ethylisoquinolin-2-ium?
You can request a quote for 2-Ethylisoquinolin-2-ium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylisoquinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylisoquinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.