5-Nitroindazole
TL;DR: 5-Nitroindazole (CAS 5401-94-5) is a chemical compound with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-nitro-1H-indazole
Also Known As: 5-Nitroindazole, 5-Nitro-1H-indazole, 1H-INDAZOLE, 5-NITRO-, null, 5-nitro-indazole
| Molecular Formula | C7H5N3O2 |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 74.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 163.03818 |
| Heavy Atoms | 12 |
| Complexity | 192.0 |
| Solubility | 14.2 [ug/mL] (The mean of the results at pH 7.4) |
| Vapor Pressure | 0.0000128 [mmHg] |
Chemical Identifiers
| CAS Number | 5401-94-5 |
|---|---|
| SMILES | C1=CC2=C(C=C1[N+](=O)[O-])C=NN2 |
| InChIKey | WSGURAYTCUVDQL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Nitroindazole (CAS 5401-94-5), with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol. IUPAC: 5-nitro-1H-indazole.
Chemical Property Profile of 5-Nitroindazole
Property Insights of 5-Nitroindazole
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Nitroindazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Nitroindazole. Following Lipinski's Rule of Five, 5-Nitroindazole has 1 hydrogen bond donor(s) and 3 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-Nitroindazole?
The CAS number of 5-Nitroindazole is 5401-94-5.
What is the molecular formula of 5-Nitroindazole?
The molecular formula of 5-Nitroindazole is C7H5N3O2.
What is the molecular weight of 5-Nitroindazole?
The molecular weight of 5-Nitroindazole is 163.04 g/mol.
Where can I buy 5-Nitroindazole?
You can request a quote for 5-Nitroindazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Nitroindazole?
Yes, KEHONG BIO provides custom synthesis services for 5-Nitroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.