4-Nitro-1-(2,4,6-trinitrophenyl)imidazole
TL;DR: 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole (CAS 30454-76-3) is a chemical compound with molecular formula C9H4N6O8 and molecular weight 324.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-1-(2,4,6-trinitrophenyl)imidazole
Also Known As: 4-nitro-1-(2,4,6-trinitrophenyl)imidazole, 4-Nitro-1-(2,4,6-trinitrophenyl)-1H-imidazole
| Molecular Formula | C9H4N6O8 |
|---|---|
| Molecular Weight | 324.01 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 201.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 1 |
| Exact Mass | 324.00906 |
| Heavy Atoms | 23 |
| Complexity | 496.0 |
Chemical Identifiers
| CAS Number | 30454-76-3 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])N2C=C(N=C2)[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JGDFIPYCBGKKND-UHFFFAOYSA-N |
Product Overview
4-Nitro-1-(2,4,6-trinitrophenyl)imidazole (CAS 30454-76-3), with molecular formula C9H4N6O8 and molecular weight 324.01 g/mol. IUPAC: 4-nitro-1-(2,4,6-trinitrophenyl)imidazole.
Chemical Property Profile of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole
Property Insights of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole. The TPSA of 201.0 Ų indicates high polarity, suggesting 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole has 0 hydrogen bond donor(s) and 9 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-(2,4,6-trinitrophenyl)imidazole?
The CAS number of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole is 30454-76-3.
What is the molecular formula of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole?
The molecular formula of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole is C9H4N6O8.
What is the molecular weight of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole?
The molecular weight of 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole is 324.01 g/mol.
Where can I buy 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole?
You can request a quote for 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole 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-(2,4,6-trinitrophenyl)imidazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-1-(2,4,6-trinitrophenyl)imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.