4-Cyanoquinoline
TL;DR: 4-Cyanoquinoline (CAS 29918-57-8) 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-4-carbonitrile
Also Known As: quinoline-4-carbonitrile, 4-cyanoquinoline, 4-Quinolinecarbonitrile, Cinchoninonitrile, N-M-TOLYLPHTHALAMICACID
| Molecular Formula | C10H6N2 |
|---|---|
| Molecular Weight | 154.05 g/mol |
| LogP | 2.0 |
| 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 | 29918-57-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CC=N2)C#N |
| InChIKey | JBSAUEMFOKUWTP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Cyanoquinoline (CAS 29918-57-8), with molecular formula C10H6N2 and molecular weight 154.05 g/mol. IUPAC: quinoline-4-carbonitrile.
Chemical Property Profile of 4-Cyanoquinoline
Property Insights of 4-Cyanoquinoline
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Cyanoquinoline. With a topological polar surface area (TPSA) of 36.7 Ų, 4-Cyanoquinoline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Cyanoquinoline 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-Cyanoquinoline?
The CAS number of 4-Cyanoquinoline is 29918-57-8.
What is the molecular formula of 4-Cyanoquinoline?
The molecular formula of 4-Cyanoquinoline is C10H6N2.
What is the molecular weight of 4-Cyanoquinoline?
The molecular weight of 4-Cyanoquinoline is 154.05 g/mol.
Where can I buy 4-Cyanoquinoline?
You can request a quote for 4-Cyanoquinoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Cyanoquinoline?
Yes, KEHONG BIO provides custom synthesis services for 4-Cyanoquinoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.