4-Nitro-1-(4-nitrophenyl)pyrazole
TL;DR: 4-Nitro-1-(4-nitrophenyl)pyrazole (CAS 52944-54-4) is a chemical compound with molecular formula C9H6N4O4 and molecular weight 234.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-(4-nitrophenyl)pyrazole
Also Known As: 4-nitro-1-(4-nitrophenyl)pyrazole, 4-Nitro-1-(4-nitrophenyl)-1H-pyrazole, 1-(4-Nitrophenyl)-4-nitropyrazole, 1-(4-Nitrophenyl)-4-nitro-1H-pyrazole, 1H-Pyrazole, 4-nitro-1-(4-nitrophenyl)-
| Molecular Formula | C9H6N4O4 |
|---|---|
| Molecular Weight | 234.04 g/mol |
| LogP | 1.6887 |
| Topological Polar Surface Area | 104.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 234.03891 |
| Heavy Atoms | 17 |
| Complexity | 574.9367 |
Chemical Identifiers
| CAS Number | 52944-54-4 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C=C(C=N2)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
4-Nitro-1-(4-nitrophenyl)pyrazole (CAS 52944-54-4), with molecular formula C9H6N4O4 and molecular weight 234.04 g/mol. IUPAC: 4-nitro-1-(4-nitrophenyl)pyrazole.
Chemical Property Profile of 4-Nitro-1-(4-nitrophenyl)pyrazole
Property Insights of 4-Nitro-1-(4-nitrophenyl)pyrazole
The XLogP value of 1.6887 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-(4-nitrophenyl)pyrazole. The TPSA of 104.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-1-(4-nitrophenyl)pyrazole. Following Lipinski's Rule of Five, 4-Nitro-1-(4-nitrophenyl)pyrazole 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 4-Nitro-1-(4-nitrophenyl)pyrazole?
The CAS number of 4-Nitro-1-(4-nitrophenyl)pyrazole is 52944-54-4.
What is the molecular formula of 4-Nitro-1-(4-nitrophenyl)pyrazole?
The molecular formula of 4-Nitro-1-(4-nitrophenyl)pyrazole is C9H6N4O4.
What is the molecular weight of 4-Nitro-1-(4-nitrophenyl)pyrazole?
The molecular weight of 4-Nitro-1-(4-nitrophenyl)pyrazole is 234.04 g/mol.
Where can I buy 4-Nitro-1-(4-nitrophenyl)pyrazole?
You can request a quote for 4-Nitro-1-(4-nitrophenyl)pyrazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-1-(4-nitrophenyl)pyrazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1-(4-nitrophenyl)pyrazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.