2-Nitro-1H-imidazole-1-ethanol
TL;DR: 2-Nitro-1H-imidazole-1-ethanol (CAS 5006-67-7) is a chemical compound with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-nitroimidazol-1-yl)ethanol
Also Known As: Imidazole-1-ethanol, 2-nitro-, 2-Nitroimidazole-1-ethanol, 2-Nitro-1H-imidazole-1-ethanol, KIH 805, 2-(2-nitroimidazol-1-yl)ethanol
| Molecular Formula | C5H7N3O3 |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 146.0 |
Chemical Identifiers
| CAS Number | 5006-67-7 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CCO |
| InChIKey | YDVMQFMAVCFLQU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Nitro-1H-imidazole-1-ethanol (CAS 5006-67-7), with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol. IUPAC: 2-(2-nitroimidazol-1-yl)ethanol.
Chemical Property Profile of 2-Nitro-1H-imidazole-1-ethanol
Property Insights of 2-Nitro-1H-imidazole-1-ethanol
The XLogP value of -0.5 indicates that 2-Nitro-1H-imidazole-1-ethanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 83.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Nitro-1H-imidazole-1-ethanol. Following Lipinski's Rule of Five, 2-Nitro-1H-imidazole-1-ethanol has 1 hydrogen bond donor(s) and 4 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-Nitro-1H-imidazole-1-ethanol?
The CAS number of 2-Nitro-1H-imidazole-1-ethanol is 5006-67-7.
What is the molecular formula of 2-Nitro-1H-imidazole-1-ethanol?
The molecular formula of 2-Nitro-1H-imidazole-1-ethanol is C5H7N3O3.
What is the molecular weight of 2-Nitro-1H-imidazole-1-ethanol?
The molecular weight of 2-Nitro-1H-imidazole-1-ethanol is 157.05 g/mol.
Where can I buy 2-Nitro-1H-imidazole-1-ethanol?
You can request a quote for 2-Nitro-1H-imidazole-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-Nitro-1H-imidazole-1-ethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Nitro-1H-imidazole-1-ethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.