Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate
TL;DR: Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate (CAS 403836-46-4) is a chemical compound with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
Also Known As: methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate, F1016-0494, methyl 2-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)acetate, methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate
| Molecular Formula | C9H12N2O4S |
|---|---|
| Molecular Weight | 244.05 g/mol |
| LogP | 0.82772 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 244.05177 |
| Heavy Atoms | 16 |
| Complexity | 377.34082 |
Chemical Identifiers
| CAS Number | 403836-46-4 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSCC(=O)OC |
Product Overview
Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate (CAS 403836-46-4), with molecular formula C9H12N2O4S and molecular weight 244.05 g/mol. IUPAC: methyl 2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetate.
Chemical Property Profile of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate
Property Insights of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate
The XLogP value of 0.82772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate. The TPSA of 81.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate. Following Lipinski's Rule of Five, Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate 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 Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate?
The CAS number of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate is 403836-46-4.
What is the molecular formula of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate?
The molecular formula of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate is C9H12N2O4S.
What is the molecular weight of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate?
The molecular weight of Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate is 244.05 g/mol.
Where can I buy Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate?
You can request a quote for Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.