3-Nitrocinnoline-4-carbonitrile
TL;DR: 3-Nitrocinnoline-4-carbonitrile (CAS 87953-99-9) is a chemical compound with molecular formula C9H4N4O2 and molecular weight 200.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-nitrocinnoline-4-carbonitrile
Also Known As: 3-nitrocinnoline-4-carbonitrile, 4-Cinnolinecarbonitrile,3-nitro, 4-Cinnolinecarbonitrile, 3-nitro-, A3322/0141127, RefChem:281340
| Molecular Formula | C9H4N4O2 |
|---|---|
| Molecular Weight | 200.03 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 95.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 200.03343 |
| Heavy Atoms | 15 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 87953-99-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=C(N=N2)[N+](=O)[O-])C#N |
| InChIKey | OYMKDTIKLZKLLE-UHFFFAOYSA-N |
Product Overview
3-Nitrocinnoline-4-carbonitrile (CAS 87953-99-9), with molecular formula C9H4N4O2 and molecular weight 200.03 g/mol. IUPAC: 3-nitrocinnoline-4-carbonitrile.
Chemical Property Profile of 3-Nitrocinnoline-4-carbonitrile
Property Insights of 3-Nitrocinnoline-4-carbonitrile
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Nitrocinnoline-4-carbonitrile. The TPSA of 95.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrocinnoline-4-carbonitrile. Following Lipinski's Rule of Five, 3-Nitrocinnoline-4-carbonitrile has 0 hydrogen bond donor(s) and 5 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-4-carbonitrile?
The CAS number of 3-Nitrocinnoline-4-carbonitrile is 87953-99-9.
What is the molecular formula of 3-Nitrocinnoline-4-carbonitrile?
The molecular formula of 3-Nitrocinnoline-4-carbonitrile is C9H4N4O2.
What is the molecular weight of 3-Nitrocinnoline-4-carbonitrile?
The molecular weight of 3-Nitrocinnoline-4-carbonitrile is 200.03 g/mol.
Where can I buy 3-Nitrocinnoline-4-carbonitrile?
You can request a quote for 3-Nitrocinnoline-4-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrocinnoline-4-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrocinnoline-4-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.