2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-
TL;DR: 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- (CAS 31876-69-4) 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.
1-(2-methyl-5-nitroimidazol-1-yl)propan-2-one
Also Known As: Ornidazole Impurity A, Ornidazole Impurity 2, Ornidazole Related Compound, Ornidazole Related Compound 2, 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-
| Molecular Formula | C7H9N3O3 |
|---|---|
| Molecular Weight | 183.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 80.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 183.06439 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 31876-69-4 |
|---|---|
| SMILES | CC1=NC=C(N1CC(=O)C)[N+](=O)[O-] |
| InChIKey | GPHZOEKNRXEQFM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- (CAS 31876-69-4), with molecular formula C7H9N3O3 and molecular weight 183.06 g/mol. IUPAC: 1-(2-methyl-5-nitroimidazol-1-yl)propan-2-one.
Chemical Property Profile of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-
Property Insights of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-. The TPSA of 80.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-. Following Lipinski's Rule of Five, 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- 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 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-?
The CAS number of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- is 31876-69-4.
What is the molecular formula of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-?
The molecular formula of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- is C7H9N3O3.
What is the molecular weight of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-?
The molecular weight of 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- is 183.06 g/mol.
Where can I buy 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-?
You can request a quote for 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propanone, 1-(2-methyl-5-nitroimidazol-1-yl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.