3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone
TL;DR: 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone (CAS 123794-12-7) is a chemical compound with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3Z)-3-[[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]methylidene]-1-methylpyrrolidin-2-one
Also Known As: 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone, 2-Pyrrolidinone, 3-((1-(2-hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-, 3-((1-(2-Hydro xyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone, (3Z)-3-[[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]methylidene]-1-methylpyrrolidin-2-one
| Molecular Formula | C11H14N4O4 |
|---|---|
| Molecular Weight | 266.10 g/mol |
| LogP | 0.0291 |
| Topological Polar Surface Area | 101.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.1015 |
| Heavy Atoms | 19 |
| Complexity | 548.89014 |
Chemical Identifiers
| CAS Number | 123794-12-7 |
|---|---|
| SMILES | CN1CC/C(=C/C2=NC=C(N2CCO)[N+](=O)[O-])/C1=O |
Product Overview
3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone (CAS 123794-12-7), with molecular formula C11H14N4O4 and molecular weight 266.10 g/mol. IUPAC: (3Z)-3-[[1-(2-hydroxyethyl)-5-nitroimidazol-2-yl]methylidene]-1-methylpyrrolidin-2-one.
Chemical Property Profile of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone
Property Insights of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone
The XLogP value of 0.0291 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone. The TPSA of 101.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone. Following Lipinski's Rule of Five, 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone has 1 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-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone?
The CAS number of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone is 123794-12-7.
What is the molecular formula of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone?
The molecular formula of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone is C11H14N4O4.
What is the molecular weight of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone?
The molecular weight of 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone is 266.10 g/mol.
Where can I buy 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone?
You can request a quote for 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone?
Yes, KEHONG BIO provides custom synthesis services for 3-((1-(2-Hydroxyethyl)-5-nitro-1H-imidazol-2-yl)methylene)-1-methyl-2-pyrrolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.