5-aminoisoquinolin-1(2H)-one
TL;DR: 5-aminoisoquinolin-1(2H)-one (CAS 93117-08-9) is a chemical compound with molecular formula C9H8N2O and molecular weight 160.06366 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2H-isoquinolin-1-one
Also Known As: 5-aminoisoquinolin-1(2H)-one, 5-amino-2H-isoquinolin-1-one, 5-AMINOISOQUINOLIN-1-OL, 5-AIQ, 4pnq
Application Areas
Top 5 of 6 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H8N2O |
| Molecular Weight | 160.06366 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 55.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 160.06366 Da |
| Heavy Atoms | 12 |
| Complexity | 225.0 |
| SMILES | C1=CC2=C(C=CNC2=O)C(=C1)N |
| InChIKey | SVASVGVAQIVSEZ-UHFFFAOYSA-N |
Product Description
Applications: 5-aminoisoquinolin-1(2H)-one is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, 5-aminoisoquinolin-1(2H)-one (CAS 93117-08-9) has the molecular formula C9H8N2O and a molecular weight of 160.06 g/mol. Synonyms include 5-aminoisoquinolin-1(2H)-one and 5-amino-2H-isoquinolin-1-one.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 5-aminoisoquinolin-1(2H)-one
Property Insights of 5-aminoisoquinolin-1(2H)-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-aminoisoquinolin-1(2H)-one. With a topological polar surface area (TPSA) of 55.1 Ų, 5-aminoisoquinolin-1(2H)-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-aminoisoquinolin-1(2H)-one has 2 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-aminoisoquinolin-1(2H)-one?
The CAS number of 5-aminoisoquinolin-1(2H)-one is 93117-08-9.
What is the molecular formula of 5-aminoisoquinolin-1(2H)-one?
The molecular formula of 5-aminoisoquinolin-1(2H)-one is C9H8N2O.
What is the molecular weight of 5-aminoisoquinolin-1(2H)-one?
The molecular weight of 5-aminoisoquinolin-1(2H)-one is 160.06366 g/mol.
What are the applications of 5-aminoisoquinolin-1(2H)-one?
5-aminoisoquinolin-1(2H)-one is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item...
Where can I buy 5-aminoisoquinolin-1(2H)-one?
You can request a quote for 5-aminoisoquinolin-1(2H)-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-aminoisoquinolin-1(2H)-one?
Yes, CoreyChem provides custom synthesis services for 5-aminoisoquinolin-1(2H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.