Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate
TL;DR: Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate (CAS 403836-50-0) is a chemical compound with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoate
Also Known As: ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate, ethyl 3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)propanoate, ethyl 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoate, ethyl 3-[(N-5-methyl-3-isoxazolylcarbamoyl)methylthio]propionate, ethyl 3-({2-[(5-methylisoxazol-3-yl)amino]-2-oxoethyl}thio)propanoate
| Molecular Formula | C11H16N2O4S |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 1.60792 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 272.08307 |
| Heavy Atoms | 18 |
| Complexity | 405.5024 |
Chemical Identifiers
| CAS Number | 403836-50-0 |
|---|---|
| SMILES | CCOC(=O)CCSCC(=O)NC1=NOC(=C1)C |
Product Overview
Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate (CAS 403836-50-0), with molecular formula C11H16N2O4S and molecular weight 272.08 g/mol. IUPAC: ethyl 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoate.
Chemical Property Profile of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate
Property Insights of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate
The XLogP value of 1.60792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate. Following Lipinski's Rule of Five, Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate 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 Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
The CAS number of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate is 403836-50-0.
What is the molecular formula of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
The molecular formula of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate is C11H16N2O4S.
What is the molecular weight of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
The molecular weight of Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate is 272.08 g/mol.
Where can I buy Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
You can request a quote for Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.