4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone
TL;DR: 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone (CAS 129661-56-9) is a chemical compound with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-1,2-oxazolidin-3-one
Also Known As: methyl-1 phenyliminomethyl-2 nitro-5 imidazole, 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone, 3-Isoxazolidinone,4-[[(1-methyl-5-nitro-1H-imidazol-2-yl)methylene]amino]-, 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)isoxazolidin-3-one, 4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-1,2-oxazolidin-3-one
| Molecular Formula | C8H9N5O4 |
|---|---|
| Molecular Weight | 239.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 239.06546 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 129661-56-9 |
|---|---|
| SMILES | CN1C(=CN=C1C=NC2CONC2=O)[N+](=O)[O-] |
| InChIKey | DPYGCRKOSNVYMA-UHFFFAOYSA-N |
Product Overview
4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone (CAS 129661-56-9), with molecular formula C8H9N5O4 and molecular weight 239.07 g/mol. IUPAC: 4-[(1-methyl-5-nitroimidazol-2-yl)methylideneamino]-1,2-oxazolidin-3-one.
Chemical Property Profile of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone
Property Insights of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone
The XLogP value of -0.5 indicates that 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone. Following Lipinski's Rule of Five, 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone has 1 hydrogen bond donor(s) and 6 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 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone?
The CAS number of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone is 129661-56-9.
What is the molecular formula of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone?
The molecular formula of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone is C8H9N5O4.
What is the molecular weight of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone?
The molecular weight of 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone is 239.07 g/mol.
Where can I buy 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone?
You can request a quote for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone?
Yes, KEHONG BIO provides custom synthesis services for 4-(((1-Methyl-5-nitro-1H-imidazol-2-yl)methylene)amino)-3-isoxazolidinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.