2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium
TL;DR: 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium (CAS 692250-17-2) is a chemical compound with molecular formula C17H18N2+2 and molecular weight 250.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium
Also Known As: 2-(3-pyridin-1-ylpropyl)isoquinoline, 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium, 2-[3-(pyridinium-1-yl)propyl]isoquinolinium
| Molecular Formula | C17H18N2+2 |
|---|---|
| Molecular Weight | 250.15 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 7.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 4 |
| Exact Mass | 250.147 |
| Heavy Atoms | 19 |
| Complexity | 260.0 |
Chemical Identifiers
| CAS Number | 692250-17-2 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CCC[N+]2=CC3=CC=CC=C3C=C2 |
| InChIKey | IALOVIWRRZHWGV-UHFFFAOYSA-N |
Product Overview
2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium (CAS 692250-17-2), with molecular formula C17H18N2+2 and molecular weight 250.15 g/mol. IUPAC: 2-(3-pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium.
Chemical Property Profile of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium
Property Insights of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium. With a topological polar surface area (TPSA) of 7.8 Ų, 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-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-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium?
The CAS number of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium is 692250-17-2.
What is the molecular formula of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium?
The molecular formula of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium is C17H18N2+2.
What is the molecular weight of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium?
The molecular weight of 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium is 250.15 g/mol.
Where can I buy 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium?
You can request a quote for 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-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-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for 2-(3-Pyridin-1-ium-1-ylpropyl)isoquinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.