3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol
TL;DR: 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol (CAS 62580-80-7) is a chemical compound with molecular formula C7H11N3O4 and molecular weight 201.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol
Also Known As: Ornidazole Diol, M4-ornidazole, Ornidazole Impurity 4, 3-(2-methyl-5-nitro-1h-imidazol-1-yl)propane-1,2-diol, Ro 11-2616
| Molecular Formula | C7H11N3O4 |
|---|---|
| Molecular Weight | 201.07 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07495 |
| Heavy Atoms | 14 |
| Complexity | 208.0 |
Chemical Identifiers
| CAS Number | 62580-80-7 |
|---|---|
| SMILES | CC1=NC=C(N1CC(CO)O)[N+](=O)[O-] |
| InChIKey | QQNYOVQUGLPEFB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol (CAS 62580-80-7), with molecular formula C7H11N3O4 and molecular weight 201.07 g/mol. IUPAC: 3-(2-methyl-5-nitroimidazol-1-yl)propane-1,2-diol.
Chemical Property Profile of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol
Property Insights of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol
The XLogP value of -0.6 indicates that 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol 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 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol. Following Lipinski's Rule of Five, 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol 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 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol?
The CAS number of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol is 62580-80-7.
What is the molecular formula of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol?
The molecular formula of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol is C7H11N3O4.
What is the molecular weight of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol?
The molecular weight of 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol is 201.07 g/mol.
Where can I buy 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol?
You can request a quote for 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Methyl-5-nitroimidazole-1-yl)-1,2-propanediol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.