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Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate
TL;DR: Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate (CAS 41456-92-2) is a chemical compound with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(5-amino-3-methyl-1,2-oxazol-4-yl)amino]-2-oxoacetate
Also Known As: ethyl[(5-amino-3-methyl-1,2-oxazol-4-yl)amino](oxo)acetate, 5-Amino-4-aethyloxalylamido-3-methylisoxazol, ethyl 2-[(5-amino-3-methyl-1,2-oxazol-4-yl)amino]-2-oxoacetate, ethyl [(5-amino-3-methyl-1,2-oxazol-4-yl)amino](oxo)acetate, Ethyl 2-((5-amino-3-methyl-4-isoxazolyl)amino)-2-oxoacetate
| Molecular Formula | C8H11N3O4 |
|---|---|
| Molecular Weight | 213.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.07495 |
| Heavy Atoms | 15 |
| Complexity | 258.0 |
Chemical Identifiers
| CAS Number | 41456-92-2 |
|---|---|
| SMILES | CCOC(=O)C(=O)NC1=C(ON=C1C)N |
| InChIKey | ZAYNQQKBMRUIKF-UHFFFAOYSA-N |
Product Overview
Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate (CAS 41456-92-2), with molecular formula C8H11N3O4 and molecular weight 213.07 g/mol. IUPAC: ethyl 2-[(5-amino-3-methyl-1,2-oxazol-4-yl)amino]-2-oxoacetate.
Chemical Property Profile of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate
Property Insights of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate. Following Lipinski's Rule of Five, Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate has 2 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 Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate?
The CAS number of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate is 41456-92-2.
What is the molecular formula of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate?
The molecular formula of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate is C8H11N3O4.
What is the molecular weight of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate?
The molecular weight of Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate is 213.07 g/mol.
Where can I buy Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate?
You can request a quote for Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(5-amino-3-methyl-4-isoxazolyl)amino]-2-oxoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.