4-Cyano-3-methylisoquinoline
TL;DR: 4-Cyano-3-methylisoquinoline (CAS 161468-32-2) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.06874 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-methylisoquinoline-4-carbonitrile
Also Known As: 4-cyano-3-methylisoquinoline, 3-methylisoquinoline-4-carbonitrile, PKA Inhibitor XI, 3-methyl-4-Isoquinolinecarbonitrile, 3-methyl-4-cyano-isoquinoline
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C11H8N2 |
| Molecular Weight | 168.06874 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.06874 Da |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
| SMILES | CC1=C(C2=CC=CC=C2C=N1)C#N |
| InChIKey | SZWLGBJCLZDZBY-UHFFFAOYSA-N |
Product Description
Applications: 4-Cyano-3-methylisoquinoline is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Cyano-3-methylisoquinoline (CAS 161468-32-2) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
4-Cyano-3-methylisoquinoline is a pharmaceutical intermediate identified by CAS number 161468-32-2 and the molecular formula C11H8N2 and a molecular weight of 168.07 g/mol. It is also known as 4-cyano-3-methylisoquinoline and 3-methylisoquinoline-4-carbonitrile.
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 4-Cyano-3-methylisoquinoline
Property Insights of 4-Cyano-3-methylisoquinoline
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyano-3-methylisoquinoline. With a topological polar surface area (TPSA) of 36.7 Ų, 4-Cyano-3-methylisoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyano-3-methylisoquinoline has 0 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 4-Cyano-3-methylisoquinoline?
The CAS number of 4-Cyano-3-methylisoquinoline is 161468-32-2.
What is the molecular formula of 4-Cyano-3-methylisoquinoline?
The molecular formula of 4-Cyano-3-methylisoquinoline is C11H8N2.
What is the molecular weight of 4-Cyano-3-methylisoquinoline?
The molecular weight of 4-Cyano-3-methylisoquinoline is 168.06874 g/mol.
What are the applications of 4-Cyano-3-methylisoquinoline?
4-Cyano-3-methylisoquinoline is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4-Cyano-3-methylisoquinoline (CAS 161468-32-2) with...
Where can I buy 4-Cyano-3-methylisoquinoline?
You can request a quote for 4-Cyano-3-methylisoquinoline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Cyano-3-methylisoquinoline?
Yes, CoreyChem provides custom synthesis services for 4-Cyano-3-methylisoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.