Isoquinoline
TL;DR: Isoquinoline (CAS 119-65-3) is a chemical compound with molecular formula C9H7N and molecular weight 129.05785 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
isoquinoline
Also Known As: ISOQUINOLINE, 2-Benzazine, Leucoline, 2-Azanaphthalene, beta-Quinoline
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H7N |
| Molecular Weight | 129.05785 g/mol |
| XLogP | 2.1 |
| Topological Polar Surface Area (TPSA) | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.05785 Da |
| Heavy Atoms | 10 |
| Complexity | 111.0 |
| Melting Point | 26.47 |
| Boiling Point | 243.2 |
| Density | 1.097-1.103 |
| Refractive Index | 1.621-1.627 |
| Solubility | 4520 |
| SMILES | C1=CC=C2C=NC=CC2=C1 |
| InChIKey | AWJUIBRHMBBTKR-UHFFFAOYSA-N |
Product Description
Applications: Isoquinoline 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).
Isoquinoline is a heterocyclic building block identified by CAS number 119-65-3 and the molecular formula C9H7N and a molecular weight of 129.06 g/mol. Physically, the compound has a density of 1.097-1.103 g/cm³, a solubility: 4520. Synonyms include ISOQUINOLINE and 2-Benzazine.
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 Isoquinoline
Property Insights of Isoquinoline
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoquinoline. With a topological polar surface area (TPSA) of 12.9 Ų, Isoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoquinoline has 0 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 Isoquinoline?
The CAS number of Isoquinoline is 119-65-3.
What is the molecular formula of Isoquinoline?
The molecular formula of Isoquinoline is C9H7N.
What is the molecular weight of Isoquinoline?
The molecular weight of Isoquinoline is 129.05785 g/mol.
What are the applications of Isoquinoline?
Isoquinoline 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 Isoquinoline?
You can request a quote for Isoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isoquinoline?
Yes, CoreyChem provides custom synthesis services for Isoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.