acetate structure](/static/products/4145/41457-02-7.webp)
Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate
TL;DR: Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate (CAS 41457-02-7) is a chemical compound with molecular formula C8H9N3O6 and molecular weight 243.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino]-2-oxoacetate
Also Known As: 5-Aethyloxalylamido-3-methyl-4-nitroisoxazol, ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate, ethyl 2-[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino]-2-oxoacetate, Ethyl [(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate, Acetic acid,2-[(3-methyl-4-nitro-5-isoxazolyl)amino]-2-oxo-, ethyl ester
| Molecular Formula | C8H9N3O6 |
|---|---|
| Molecular Weight | 243.05 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 243.04913 |
| Heavy Atoms | 17 |
| Complexity | 328.0 |
Chemical Identifiers
| CAS Number | 41457-02-7 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(C(=NO1)C)[N+](=O)[O-] |
| InChIKey | DESOPOXOZCURNT-UHFFFAOYSA-N |
Product Overview
Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate (CAS 41457-02-7), with molecular formula C8H9N3O6 and molecular weight 243.05 g/mol. IUPAC: ethyl 2-[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate
Property Insights of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate. Following Lipinski's Rule of Five, Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate has 1 hydrogen bond donor(s) and 7 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 Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate?
The CAS number of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate is 41457-02-7.
What is the molecular formula of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate?
The molecular formula of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate is C8H9N3O6.
What is the molecular weight of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate?
The molecular weight of Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate is 243.05 g/mol.
Where can I buy Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate?
You can request a quote for Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl[(3-methyl-4-nitro-1,2-oxazol-5-yl)amino](oxo)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.