1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)
TL;DR: 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) (CAS 56396-28-2) is a chemical compound with molecular formula C6H9N3O6S and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl hydrogen sulfate
Also Known As: Metronidazole-sulfate, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester), 2-Methyl-5-nitro-1H-imidazole-1-ethanol hydrogen sulfate (ester), 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hydrogen sulfate, [2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethoxy]sulfonic acid
| Molecular Formula | C6H9N3O6S |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 251.02121 |
| Heavy Atoms | 16 |
| Complexity | 346.0 |
Chemical Identifiers
| CAS Number | 56396-28-2 |
|---|---|
| SMILES | CC1=NC=C(N1CCOS(=O)(=O)O)[N+](=O)[O-] |
| InChIKey | CGHXCDGMIYKRME-UHFFFAOYSA-N |
Product Overview
1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) (CAS 56396-28-2), with molecular formula C6H9N3O6S and molecular weight 251.02 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl hydrogen sulfate.
Chemical Property Profile of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)
Property Insights of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)
The XLogP value of -0.8 indicates that 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester). Following Lipinski's Rule of Five, 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) has 1 hydrogen bond donor(s) and 7 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 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)?
The CAS number of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) is 56396-28-2.
What is the molecular formula of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)?
The molecular formula of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) is C6H9N3O6S.
What is the molecular weight of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)?
The molecular weight of 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) is 251.02 g/mol.
Where can I buy 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)?
You can request a quote for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-1-ethanol, 2-methyl-5-nitro-, hydrogen sulfate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.