Hydroxymetronidazole
TL;DR: Hydroxymetronidazole (CAS 4812-40-2) is a chemical compound with molecular formula C6H9N3O4 and molecular weight 187.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol
Also Known As: Hydroxymetronidazole, Hydroxy Metronidazole, Metronidazole-OH, 2-Hydroxymetronidazole, Metronidazole-hydroxy
| Molecular Formula | C6H9N3O4 |
|---|---|
| Molecular Weight | 187.06 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 187.05931 |
| Heavy Atoms | 13 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4812-40-2 |
|---|---|
| SMILES | C1=C(N(C(=N1)CO)CCO)[N+](=O)[O-] |
| InChIKey | AEHPOYAOLCAMIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hydroxymetronidazole (CAS 4812-40-2), with molecular formula C6H9N3O4 and molecular weight 187.06 g/mol. IUPAC: 2-[2-(hydroxymethyl)-5-nitroimidazol-1-yl]ethanol.
Chemical Property Profile of Hydroxymetronidazole
Property Insights of Hydroxymetronidazole
The XLogP value of -1.3 indicates that Hydroxymetronidazole is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydroxymetronidazole. Following Lipinski's Rule of Five, Hydroxymetronidazole has 2 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 Hydroxymetronidazole?
The CAS number of Hydroxymetronidazole is 4812-40-2.
What is the molecular formula of Hydroxymetronidazole?
The molecular formula of Hydroxymetronidazole is C6H9N3O4.
What is the molecular weight of Hydroxymetronidazole?
The molecular weight of Hydroxymetronidazole is 187.06 g/mol.
Where can I buy Hydroxymetronidazole?
You can request a quote for Hydroxymetronidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydroxymetronidazole?
Yes, KEHONG BIO provides custom synthesis services for Hydroxymetronidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.