1-Methyl-4,5-dinitroimidazole
TL;DR: 1-Methyl-4,5-dinitroimidazole (CAS 19183-15-4) is a chemical compound with molecular formula C4H4N4O4 and molecular weight 172.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-4,5-dinitroimidazole
Also Known As: 1-methyl-4,5-dinitro-1H-imidazole, 1-METHYL-4,5-DINITROIMIDAZOLE, 1-methyl-4,5-dinitro-imidazole, 1H-Imidazole,1-methyl-4,5-dinitro-, 1H-Imidazole, 1-methyl-4,5-dinitro-
| Molecular Formula | C4H4N4O4 |
|---|---|
| Molecular Weight | 172.02 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 172.02325 |
| Heavy Atoms | 12 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 19183-15-4 |
|---|---|
| SMILES | CN1C=NC(=C1[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QKPRSIGTZWYCEV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methyl-4,5-dinitroimidazole (CAS 19183-15-4), with molecular formula C4H4N4O4 and molecular weight 172.02 g/mol. IUPAC: 1-methyl-4,5-dinitroimidazole.
Chemical Property Profile of 1-Methyl-4,5-dinitroimidazole
Property Insights of 1-Methyl-4,5-dinitroimidazole
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-4,5-dinitroimidazole. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-4,5-dinitroimidazole. Following Lipinski's Rule of Five, 1-Methyl-4,5-dinitroimidazole 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 1-Methyl-4,5-dinitroimidazole?
The CAS number of 1-Methyl-4,5-dinitroimidazole is 19183-15-4.
What is the molecular formula of 1-Methyl-4,5-dinitroimidazole?
The molecular formula of 1-Methyl-4,5-dinitroimidazole is C4H4N4O4.
What is the molecular weight of 1-Methyl-4,5-dinitroimidazole?
The molecular weight of 1-Methyl-4,5-dinitroimidazole is 172.02 g/mol.
Where can I buy 1-Methyl-4,5-dinitroimidazole?
You can request a quote for 1-Methyl-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 1-Methyl-4,5-dinitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-4,5-dinitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.