1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole
TL;DR: 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole (CAS 30595-51-8) is a chemical compound with molecular formula C8H4N6O6 and molecular weight 280.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)-3-nitro-1,2,4-triazole
Also Known As: 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole, J2.965.254F, 1-(2,4-dinitrophenyl)-3-nitro-1H-[1,2,4]-triazole, 1-(2,4-Dinitrophenyl)-3-nitro-1H-1,2,4-triazole, 1-(5-Nitro-2H-1,2,4-triazole-2-yl)-2,4-dinitrobenzene
| Molecular Formula | C8H4N6O6 |
|---|---|
| Molecular Weight | 280.02 g/mol |
| LogP | 0.9919 |
| Topological Polar Surface Area | 160.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.01923 |
| Heavy Atoms | 20 |
| Complexity | 723.99744 |
Chemical Identifiers
| CAS Number | 30595-51-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])N2C=NC(=N2)[N+](=O)[O-] |
Product Overview
1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole (CAS 30595-51-8), with molecular formula C8H4N6O6 and molecular weight 280.02 g/mol. IUPAC: 1-(2,4-dinitrophenyl)-3-nitro-1,2,4-triazole.
Chemical Property Profile of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole
Property Insights of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole
The XLogP value of 0.9919 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole. The TPSA of 160.13 Ų indicates high polarity, suggesting 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole has 0 hydrogen bond donor(s) and 8 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 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole?
The CAS number of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole is 30595-51-8.
What is the molecular formula of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole?
The molecular formula of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole is C8H4N6O6.
What is the molecular weight of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole?
The molecular weight of 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole is 280.02 g/mol.
Where can I buy 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole?
You can request a quote for 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,4-Dinitrophenyl)-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.