2-Hydroxymethyl-1-methyl-5-nitroimidazole
TL;DR: 2-Hydroxymethyl-1-methyl-5-nitroimidazole (CAS 94481-73-9) 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.
(1-methyl-5-nitroimidazol-2-yl)methanol
Also Known As: HMMNI, Hydroxy Dimetridazole, 1-Methyl-5-nitro-1H-imidazole-2-methanol, (1-Methyl-5-nitro-1H-imidazol-2-yl)methanol, dimetridazole-2-hydroxy
| Molecular Formula | C5H7N3O3 |
|---|---|
| Molecular Weight | 157.05 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 83.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 157.04874 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
Chemical Identifiers
| CAS Number | 94481-73-9 |
|---|---|
| SMILES | CN1C(=CN=C1CO)[N+](=O)[O-] |
| InChIKey | JSAQDPJIVQMBAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Hydroxymethyl-1-methyl-5-nitroimidazole (CAS 94481-73-9), with molecular formula C5H7N3O3 and molecular weight 157.05 g/mol. IUPAC: (1-methyl-5-nitroimidazol-2-yl)methanol.
Chemical Property Profile of 2-Hydroxymethyl-1-methyl-5-nitroimidazole
Property Insights of 2-Hydroxymethyl-1-methyl-5-nitroimidazole
The XLogP value of -0.4 indicates that 2-Hydroxymethyl-1-methyl-5-nitroimidazole 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-Hydroxymethyl-1-methyl-5-nitroimidazole. Following Lipinski's Rule of Five, 2-Hydroxymethyl-1-methyl-5-nitroimidazole 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-Hydroxymethyl-1-methyl-5-nitroimidazole?
The CAS number of 2-Hydroxymethyl-1-methyl-5-nitroimidazole is 94481-73-9.
What is the molecular formula of 2-Hydroxymethyl-1-methyl-5-nitroimidazole?
The molecular formula of 2-Hydroxymethyl-1-methyl-5-nitroimidazole is C5H7N3O3.
What is the molecular weight of 2-Hydroxymethyl-1-methyl-5-nitroimidazole?
The molecular weight of 2-Hydroxymethyl-1-methyl-5-nitroimidazole is 157.05 g/mol.
Where can I buy 2-Hydroxymethyl-1-methyl-5-nitroimidazole?
You can request a quote for 2-Hydroxymethyl-1-methyl-5-nitroimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Hydroxymethyl-1-methyl-5-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-Hydroxymethyl-1-methyl-5-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.