4,5-Dinitroimidazole
TL;DR: 4,5-Dinitroimidazole (CAS 19183-14-3) is a chemical compound with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dinitro-1H-imidazole
Also Known As: 4,5-dinitro-1H-imidazole, 4,5-DINITROIMIDAZOLE, 1H-Imidazole, 4,5-dinitro-, Metronidazole Impurity 52, Imidazole, 4,5-dinitro-
| Molecular Formula | C3H2N4O4 |
|---|---|
| Molecular Weight | 158.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 158.0076 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 19183-14-3 |
|---|---|
| SMILES | C1=NC(=C(N1)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | CCRNCEKMSVYFLU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,5-Dinitroimidazole (CAS 19183-14-3), with molecular formula C3H2N4O4 and molecular weight 158.01 g/mol. IUPAC: 4,5-dinitro-1H-imidazole.
Chemical Property Profile of 4,5-Dinitroimidazole
Property Insights of 4,5-Dinitroimidazole
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Dinitroimidazole. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,5-Dinitroimidazole. Following Lipinski's Rule of Five, 4,5-Dinitroimidazole has 1 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 4,5-Dinitroimidazole?
The CAS number of 4,5-Dinitroimidazole is 19183-14-3.
What is the molecular formula of 4,5-Dinitroimidazole?
The molecular formula of 4,5-Dinitroimidazole is C3H2N4O4.
What is the molecular weight of 4,5-Dinitroimidazole?
The molecular weight of 4,5-Dinitroimidazole is 158.01 g/mol.
Where can I buy 4,5-Dinitroimidazole?
You can request a quote for 4,5-Dinitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dinitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dinitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.