3-Nitrocinnoline
TL;DR: 3-Nitrocinnoline (CAS 2499-46-9) 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.
3-nitrocinnoline
Also Known As: 3-nitrocinnoline, 3-nitro-cinnoline, Cinnoline, 3-nitro-, J1.605.951J, RefChem:281339
| Molecular Formula | C8H5N3O2 |
|---|---|
| Molecular Weight | 175.04 g/mol |
| LogP | 0.7 |
| 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 | 2499-46-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C(N=N2)[N+](=O)[O-] |
| InChIKey | HYZQJOVSKFXLGC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitrocinnoline (CAS 2499-46-9), with molecular formula C8H5N3O2 and molecular weight 175.04 g/mol. IUPAC: 3-nitrocinnoline.
Chemical Property Profile of 3-Nitrocinnoline
Property Insights of 3-Nitrocinnoline
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrocinnoline. The TPSA of 71.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrocinnoline. Following Lipinski's Rule of Five, 3-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 3-Nitrocinnoline?
The CAS number of 3-Nitrocinnoline is 2499-46-9.
What is the molecular formula of 3-Nitrocinnoline?
The molecular formula of 3-Nitrocinnoline is C8H5N3O2.
What is the molecular weight of 3-Nitrocinnoline?
The molecular weight of 3-Nitrocinnoline is 175.04 g/mol.
Where can I buy 3-Nitrocinnoline?
You can request a quote for 3-Nitrocinnoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrocinnoline?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrocinnoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.