2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate
TL;DR: 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate (CAS 796982-49-5) is a chemical compound with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(ethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
Also Known As: 2-(ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate, (ethylcarbamoyl)methyl 3,5-dimethyl-1,2-oxazole-4-carboxylate, 4-Isoxazolecarboxylicacid,3,5-dimethyl-,2- -2-oxoethylester, Ethylcarbamoylmethyl 3,5-dimethyl-1,2-oxazole-4-carboxylate, [2-(ethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate
| Molecular Formula | C10H14N2O4 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 0.58434 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.09535 |
| Heavy Atoms | 16 |
| Complexity | 378.02335 |
Chemical Identifiers
| CAS Number | 796982-49-5 |
|---|---|
| SMILES | CCNC(=O)COC(=O)C1=C(ON=C1C)C |
Product Overview
2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate (CAS 796982-49-5), with molecular formula C10H14N2O4 and molecular weight 226.10 g/mol. IUPAC: [2-(ethylamino)-2-oxoethyl] 3,5-dimethyl-1,2-oxazole-4-carboxylate.
Chemical Property Profile of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate
Property Insights of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate
The XLogP value of 0.58434 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate. Following Lipinski's Rule of Five, 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate 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 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate?
The CAS number of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate is 796982-49-5.
What is the molecular formula of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate?
The molecular formula of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate is C10H14N2O4.
What is the molecular weight of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate?
The molecular weight of 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate is 226.10 g/mol.
Where can I buy 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate?
You can request a quote for 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(Ethylamino)-2-oxoethyl 3,5-dimethylisoxazole-4-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.