3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide
TL;DR: 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide (CAS 93716-53-1) is a chemical compound with molecular formula C14H8N4O3 and molecular weight 280.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-nitro-1-oxido-2-phenylindazol-1-ium-3-carbonitrile
Also Known As: 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide, 6-nitro-1-oxido-2-phenylindazol-1-ium-3-carbonitrile, 6-Nitro-2-phenyl-2H-indazole-3-carbonitrile 1-oxide, 6-Nitro-1-oxy-2-phenyl-2H-indazole-3-carbonitrile, 1-hydroxy-6-nitro-2-phenyl-2H-indazole-3-carbonitrile
| Molecular Formula | C14H8N4O3 |
|---|---|
| Molecular Weight | 280.06 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 100.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 280.05963 |
| Heavy Atoms | 21 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 93716-53-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=C3C=CC(=CC3=[N+]2[O-])[N+](=O)[O-])C#N |
| InChIKey | PSAFFGQSEHTYPY-UHFFFAOYSA-N |
Product Overview
3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide (CAS 93716-53-1), with molecular formula C14H8N4O3 and molecular weight 280.06 g/mol. IUPAC: 6-nitro-1-oxido-2-phenylindazol-1-ium-3-carbonitrile.
Chemical Property Profile of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide
Property Insights of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide
The XLogP value of 3.3 indicates that 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide. Following Lipinski's Rule of Five, 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide 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-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide?
The CAS number of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide is 93716-53-1.
What is the molecular formula of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide?
The molecular formula of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide is C14H8N4O3.
What is the molecular weight of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide?
The molecular weight of 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide is 280.06 g/mol.
Where can I buy 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide?
You can request a quote for 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Cyano-6-nitro-2-phenyl-2H-indazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.