Isoquinolin-2-ium
TL;DR: Isoquinolin-2-ium (CAS 23715-85-7) is a chemical compound with molecular formula C9H8N+ and molecular weight 130.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
isoquinolin-2-ium
Also Known As: Isoquinolinium, 2H-isoquinoline, isoquinolin-2-ium, 67734-EP2286915A2, 67734-EP2308874A1
| Molecular Formula | C9H8N+ |
|---|---|
| Molecular Weight | 130.07 g/mol |
| LogP | 1.6539 |
| Topological Polar Surface Area | 14.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.06567 |
| Heavy Atoms | 10 |
| Complexity | 275.70514 |
Chemical Identifiers
| CAS Number | 23715-85-7 |
|---|---|
| SMILES | C1=CC=C2C=[NH+]C=CC2=C1 |
Product Overview
Isoquinolin-2-ium (CAS 23715-85-7), with molecular formula C9H8N+ and molecular weight 130.07 g/mol. IUPAC: isoquinolin-2-ium.
Chemical Property Profile of Isoquinolin-2-ium
Property Insights of Isoquinolin-2-ium
The XLogP value of 1.6539 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinolin-2-ium. With a topological polar surface area (TPSA) of 14.14 Ų, Isoquinolin-2-ium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 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 Isoquinolin-2-ium?
The CAS number of Isoquinolin-2-ium is 23715-85-7.
What is the molecular formula of Isoquinolin-2-ium?
The molecular formula of Isoquinolin-2-ium is C9H8N+.
What is the molecular weight of Isoquinolin-2-ium?
The molecular weight of Isoquinolin-2-ium is 130.07 g/mol.
Where can I buy Isoquinolin-2-ium?
You can request a quote for 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 Isoquinolin-2-ium?
Yes, KEHONG BIO provides custom synthesis services for Isoquinolin-2-ium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.