2,4-Dinitroimidazole-1-ethanol
TL;DR: 2,4-Dinitroimidazole-1-ethanol (CAS 7151-64-6) is a chemical compound with molecular formula C5H6N4O5 and molecular weight 202.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,4-dinitroimidazol-1-yl)ethanol
Also Known As: 2,4-Dinitroimidazole-1-ethanol, DNIE, KA 161, 2-(2,4-dinitroimidazol-1-yl)ethanol, 1H-Imidazole-1-ethanol,2,4-dinitro-
| Molecular Formula | C5H6N4O5 |
|---|---|
| Molecular Weight | 202.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 130.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 202.03381 |
| Heavy Atoms | 14 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 7151-64-6 |
|---|---|
| SMILES | C1=C(N=C(N1CCO)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WNURBLVAAMWYCX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Dinitroimidazole-1-ethanol (CAS 7151-64-6), with molecular formula C5H6N4O5 and molecular weight 202.03 g/mol. IUPAC: 2-(2,4-dinitroimidazol-1-yl)ethanol.
Chemical Property Profile of 2,4-Dinitroimidazole-1-ethanol
Property Insights of 2,4-Dinitroimidazole-1-ethanol
The XLogP value of -0.9 indicates that 2,4-Dinitroimidazole-1-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dinitroimidazole-1-ethanol. Following Lipinski's Rule of Five, 2,4-Dinitroimidazole-1-ethanol has 1 hydrogen bond donor(s) and 6 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 2,4-Dinitroimidazole-1-ethanol?
The CAS number of 2,4-Dinitroimidazole-1-ethanol is 7151-64-6.
What is the molecular formula of 2,4-Dinitroimidazole-1-ethanol?
The molecular formula of 2,4-Dinitroimidazole-1-ethanol is C5H6N4O5.
What is the molecular weight of 2,4-Dinitroimidazole-1-ethanol?
The molecular weight of 2,4-Dinitroimidazole-1-ethanol is 202.03 g/mol.
Where can I buy 2,4-Dinitroimidazole-1-ethanol?
You can request a quote for 2,4-Dinitroimidazole-1-ethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dinitroimidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dinitroimidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.