4-Nitroindazole
TL;DR: 4-Nitroindazole (CAS 2942-40-7) 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.
4-nitro-1H-indazole
Also Known As: 4-Nitro-1H-indazole, 4-Nitroindazole, 1H-Indazole, 4-nitro-, null, INDAZOLE, 4-NITRO-
| Molecular Formula | C7H5N3O2 |
|---|---|
| Molecular Weight | 163.04 g/mol |
| LogP | 1.4 |
| 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 |
Chemical Identifiers
| CAS Number | 2942-40-7 |
|---|---|
| SMILES | C1=CC2=C(C=NN2)C(=C1)[N+](=O)[O-] |
| InChIKey | WBTVZVUYPVQEIF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitroindazole (CAS 2942-40-7), with molecular formula C7H5N3O2 and molecular weight 163.04 g/mol. IUPAC: 4-nitro-1H-indazole.
Chemical Property Profile of 4-Nitroindazole
Property Insights of 4-Nitroindazole
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitroindazole. The TPSA of 74.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitroindazole. Following Lipinski's Rule of Five, 4-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 4-Nitroindazole?
The CAS number of 4-Nitroindazole is 2942-40-7.
What is the molecular formula of 4-Nitroindazole?
The molecular formula of 4-Nitroindazole is C7H5N3O2.
What is the molecular weight of 4-Nitroindazole?
The molecular weight of 4-Nitroindazole is 163.04 g/mol.
Where can I buy 4-Nitroindazole?
You can request a quote for 4-Nitroindazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitroindazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitroindazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.