5-Aminoisoquinoline
TL;DR: 5-Aminoisoquinoline (CAS 1125-60-6) is a chemical compound with molecular formula C9H8N2 and molecular weight 144.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isoquinolin-5-amine
Also Known As: 5-Aminoisoquinoline, isoquinolin-5-amine, 5-Isoquinolinamine, Isoquinol-5-ylamine, Isoquinoline, 5-amino-
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8N2 |
| Molecular Weight | 144.06874 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 38.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 144.06874 Da |
| Heavy Atoms | 11 |
| Complexity | 136.0 |
| Melting Point | 128 |
| Solubility | 1.4 [ug/mL] (The mean of the results at pH 7.4) |
| SMILES | C1=CC2=C(C=CN=C2)C(=C1)N |
| InChIKey | DTVYNUOOZIKEEX-UHFFFAOYSA-N |
Chemical Property Profile of 5-Aminoisoquinoline
Property Insights of 5-Aminoisoquinoline
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Aminoisoquinoline. With a topological polar surface area (TPSA) of 38.9 Ų, 5-Aminoisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Aminoisoquinoline has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Aminoisoquinoline?
The CAS number of 5-Aminoisoquinoline is 1125-60-6.
What is the molecular formula of 5-Aminoisoquinoline?
The molecular formula of 5-Aminoisoquinoline is C9H8N2.
What is the molecular weight of 5-Aminoisoquinoline?
The molecular weight of 5-Aminoisoquinoline is 144.06874 g/mol.
Where can I buy 5-Aminoisoquinoline?
You can request a quote for 5-Aminoisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Aminoisoquinoline?
Yes, CoreyChem provides custom synthesis services for 5-Aminoisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.