1(2H)-Isoquinolinone
TL;DR: 1(2H)-Isoquinolinone (CAS 491-30-5) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2H-isoquinolin-1-one
Also Known As: 1-Hydroxyisoquinoline, Isocarbostyril, 1-Isoquinolinol, isoquinolin-1-ol, Isoquinolin-1(2H)-one
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.05276 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 145.05276 Da |
| Heavy Atoms | 11 |
| Complexity | 198.0 |
| SMILES | C1=CC=C2C(=C1)C=CNC2=O |
| InChIKey | VDBNYAPERZTOOF-UHFFFAOYSA-N |
Product Description
Applications: 1(2H)-Isoquinolinone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. 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 heterocyclic building block supplied by CoreyChem, 1(2H)-Isoquinolinone (CAS 491-30-5) has the molecular formula C9H7NO and a molecular weight of 145.05 g/mol. Synonyms include 1-Hydroxyisoquinoline and Isocarbostyril.
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 1(2H)-Isoquinolinone
Property Insights of 1(2H)-Isoquinolinone
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Isoquinolinone. With a topological polar surface area (TPSA) of 29.1 Ų, 1(2H)-Isoquinolinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Isoquinolinone has 1 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1(2H)-Isoquinolinone?
The CAS number of 1(2H)-Isoquinolinone is 491-30-5.
What is the molecular formula of 1(2H)-Isoquinolinone?
The molecular formula of 1(2H)-Isoquinolinone is C9H7NO.
What is the molecular weight of 1(2H)-Isoquinolinone?
The molecular weight of 1(2H)-Isoquinolinone is 145.05276 g/mol.
What are the applications of 1(2H)-Isoquinolinone?
1(2H)-Isoquinolinone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy 1(2H)-Isoquinolinone?
You can request a quote for 1(2H)-Isoquinolinone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1(2H)-Isoquinolinone?
Yes, CoreyChem provides custom synthesis services for 1(2H)-Isoquinolinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.