Cinnoline-4-carbonitrile
TL;DR: Cinnoline-4-carbonitrile (CAS 16470-90-9) is a chemical compound with molecular formula C9H5N3 and molecular weight 155.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cinnoline-4-carbonitrile
Also Known As: cinnoline-4-carbonitrile, 4-Cinnolinecarbonitrile, 4-Cyanocinnoline, 4-Cinnolinecarbonitrile #
| Molecular Formula | C9H5N3 |
|---|---|
| Molecular Weight | 155.05 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 155.04834 |
| Heavy Atoms | 12 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 16470-90-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=CN=N2)C#N |
| InChIKey | SKALQBBFRXNOBD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cinnoline-4-carbonitrile (CAS 16470-90-9), with molecular formula C9H5N3 and molecular weight 155.05 g/mol. IUPAC: cinnoline-4-carbonitrile.
Chemical Property Profile of Cinnoline-4-carbonitrile
Property Insights of Cinnoline-4-carbonitrile
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cinnoline-4-carbonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, Cinnoline-4-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cinnoline-4-carbonitrile has 0 hydrogen bond donor(s) and 3 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 Cinnoline-4-carbonitrile?
The CAS number of Cinnoline-4-carbonitrile is 16470-90-9.
What is the molecular formula of Cinnoline-4-carbonitrile?
The molecular formula of Cinnoline-4-carbonitrile is C9H5N3.
What is the molecular weight of Cinnoline-4-carbonitrile?
The molecular weight of Cinnoline-4-carbonitrile is 155.05 g/mol.
Where can I buy Cinnoline-4-carbonitrile?
You can request a quote for Cinnoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cinnoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for Cinnoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.