3-Quinolinecarbonitrile
TL;DR: 3-Quinolinecarbonitrile (CAS 34846-64-5) is a chemical compound with molecular formula C10H6N2 and molecular weight 154.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
quinoline-3-carbonitrile
Also Known As: 3-Quinolinecarbonitrile, 3-Cyanoquinoline, Quinoline-3-carbonitrile, 3-quinolinenitrile, Quinoline-3-nitrile
| Molecular Formula | C10H6N2 |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 36.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.0531 |
| Heavy Atoms | 12 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 34846-64-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(C=N2)C#N |
| InChIKey | QZZYYBQGTSGDPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Quinolinecarbonitrile (CAS 34846-64-5), with molecular formula C10H6N2 and molecular weight 154.05 g/mol. IUPAC: quinoline-3-carbonitrile.
Chemical Property Profile of 3-Quinolinecarbonitrile
Property Insights of 3-Quinolinecarbonitrile
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Quinolinecarbonitrile. With a topological polar surface area (TPSA) of 36.7 Ų, 3-Quinolinecarbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Quinolinecarbonitrile 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 3-Quinolinecarbonitrile?
The CAS number of 3-Quinolinecarbonitrile is 34846-64-5.
What is the molecular formula of 3-Quinolinecarbonitrile?
The molecular formula of 3-Quinolinecarbonitrile is C10H6N2.
What is the molecular weight of 3-Quinolinecarbonitrile?
The molecular weight of 3-Quinolinecarbonitrile is 154.05 g/mol.
Where can I buy 3-Quinolinecarbonitrile?
You can request a quote for 3-Quinolinecarbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Quinolinecarbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Quinolinecarbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.