5,6-Dinitro-1H-indazole
TL;DR: 5,6-Dinitro-1H-indazole (CAS 59601-91-1) is a chemical compound with molecular formula C7H4N4O4 and molecular weight 208.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dinitro-1H-indazole
Also Known As: 5,6-Dinitro-1H-indazole, 5,6-dinitroindazole, 1H-Indazole,5,6-dinitro-, 1H-Indazole,5,6-dinitro, 1H-Indazole, 5,6-dinitro-
| Molecular Formula | C7H4N4O4 |
|---|---|
| Molecular Weight | 208.02 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 208.02325 |
| Heavy Atoms | 15 |
| Complexity | 286.0 |
Chemical Identifiers
| CAS Number | 59601-91-1 |
|---|---|
| SMILES | C1=C2C=NNC2=CC(=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | TXKLPRHOQGGDQY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5,6-Dinitro-1H-indazole (CAS 59601-91-1), with molecular formula C7H4N4O4 and molecular weight 208.02 g/mol. IUPAC: 5,6-dinitro-1H-indazole.
Chemical Property Profile of 5,6-Dinitro-1H-indazole
Property Insights of 5,6-Dinitro-1H-indazole
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,6-Dinitro-1H-indazole. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,6-Dinitro-1H-indazole. Following Lipinski's Rule of Five, 5,6-Dinitro-1H-indazole has 1 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 5,6-Dinitro-1H-indazole?
The CAS number of 5,6-Dinitro-1H-indazole is 59601-91-1.
What is the molecular formula of 5,6-Dinitro-1H-indazole?
The molecular formula of 5,6-Dinitro-1H-indazole is C7H4N4O4.
What is the molecular weight of 5,6-Dinitro-1H-indazole?
The molecular weight of 5,6-Dinitro-1H-indazole is 208.02 g/mol.
Where can I buy 5,6-Dinitro-1H-indazole?
You can request a quote for 5,6-Dinitro-1H-indazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,6-Dinitro-1H-indazole?
Yes, KEHONG BIO provides custom synthesis services for 5,6-Dinitro-1H-indazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.