4-氰基-3-甲基异喹啉
TL;DR: 4-氰基-3-甲基异喹啉 (CAS 161468-32-2) is a chemical compound with molecular formula C11H8N2 and molecular weight 168.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氰基-3-甲基异喹啉
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
| Molecular Formula | C11H8N2 |
|---|---|
| Molecular Weight | 168.07 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 168.06874 |
| Heavy Atoms | 13 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 161468-32-2 |
|---|---|
| SMILES | CC1=C(C2=CC=CC=C2C=N1)C#N |
| InChIKey | SZWLGBJCLZDZBY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氰基-3-甲基异喹啉 (CAS 161468-32-2), with molecular formula C11H8N2 and molecular weight 168.07 g/mol. IUPAC: 3-methylisoquinoline-4-carbonitrile.
Chemical Property Profile of 4-氰基-3-甲基异喹啉
Property Insights of 4-氰基-3-甲基异喹啉
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-氰基-3-甲基异喹啉. With a topological polar surface area (TPSA) of 36.7 Ų, 4-氰基-3-甲基异喹啉 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氰基-3-甲基异喹啉 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
Frequently Asked Questions
What is the CAS number of 4-氰基-3-甲基异喹啉?
The CAS number of 4-氰基-3-甲基异喹啉 is 161468-32-2.
What is the molecular formula of 4-氰基-3-甲基异喹啉?
The molecular formula of 4-氰基-3-甲基异喹啉 is C11H8N2.
What is the molecular weight of 4-氰基-3-甲基异喹啉?
The molecular weight of 4-氰基-3-甲基异喹啉 is 168.07 g/mol.
Where can I buy 4-氰基-3-甲基异喹啉?
You can request a quote for 4-氰基-3-甲基异喹啉 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氰基-3-甲基异喹啉?
Yes, KEHONG BIO provides custom synthesis services for 4-氰基-3-甲基异喹啉 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.