1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole
TL;DR: 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole (CAS 16773-52-7) is a chemical compound with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole
Also Known As: Ornidazole Epoxide, Diphenylchlorosilane, Ornidazole Impurity 3, 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole, Ornidazole Epoxide Impurity
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 76.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 218.0 |
Chemical Identifiers
| CAS Number | 16773-52-7 |
|---|---|
| SMILES | CC1=NC=C(N1CC2CO2)[N+](=O)[O-] |
| InChIKey | NLXRQOREXATYEE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole (CAS 16773-52-7), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 2-methyl-5-nitro-1-(oxiran-2-ylmethyl)imidazole.
Chemical Property Profile of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole
Property Insights of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole. The TPSA of 76.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole. Following Lipinski's Rule of Five, 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole has 0 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 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole?
The CAS number of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole is 16773-52-7.
What is the molecular formula of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole?
The molecular formula of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole is C7H9N3O3.
What is the molecular weight of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole?
The molecular weight of 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole is 183.06 g/mol.
Where can I buy 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole?
You can request a quote for 1-(2,3-Epoxypropyl)-2-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 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole?
Yes, KEHONG BIO provides custom synthesis services for 1-(2,3-Epoxypropyl)-2-methyl-5-nitroimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.