5-Nitrocinnoline
TL;DR: 5-Nitrocinnoline (CAS 2942-36-1) is a chemical compound with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitrocinnoline
Also Known As: 5-nitrocinnoline, 5-nitro-cinnoline, Cinnoline, 5-nitro-, 5-(Hydroxy(oxido)amino)cinnoline, NCI60_028702
| Molecular Formula | C8H5N3O2 |
|---|---|
| Molecular Weight | 175.04 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 71.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 175.03818 |
| Heavy Atoms | 13 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 2942-36-1 |
|---|---|
| SMILES | C1=CC2=C(C=CN=N2)C(=C1)[N+](=O)[O-] |
| InChIKey | CPVUBWULXBRCAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitrocinnoline (CAS 2942-36-1), with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol. IUPAC: 5-nitrocinnoline.
Chemical Property Profile of 5-Nitrocinnoline
Property Insights of 5-Nitrocinnoline
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitrocinnoline. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitrocinnoline. Following Lipinski's Rule of Five, 5-Nitrocinnoline has 0 hydrogen bond donor(s) and 4 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 5-Nitrocinnoline?
The CAS number of 5-Nitrocinnoline is 2942-36-1.
What is the molecular formula of 5-Nitrocinnoline?
The molecular formula of 5-Nitrocinnoline is C8H5N3O2.
What is the molecular weight of 5-Nitrocinnoline?
The molecular weight of 5-Nitrocinnoline is 175.04 g/mol.
Where can I buy 5-Nitrocinnoline?
You can request a quote for 5-Nitrocinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitrocinnoline?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitrocinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.