Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate
TL;DR: Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate (CAS 403836-49-7) is a chemical compound with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoate
Also Known As: AB00410041-04, F1016-0497, methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate, methyl 3-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]methyl}sulfanyl)propanoate, methyl 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoate
| Molecular Formula | C10H14N2O4S |
|---|---|
| Molecular Weight | 258.07 g/mol |
| LogP | 1.21782 |
| Topological Polar Surface Area | 81.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 258.0674 |
| Heavy Atoms | 17 |
| Complexity | 391.41254 |
Chemical Identifiers
| CAS Number | 403836-49-7 |
|---|---|
| SMILES | CC1=CC(=NO1)NC(=O)CSCCC(=O)OC |
Product Overview
Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate (CAS 403836-49-7), with molecular formula C10H14N2O4S and molecular weight 258.07 g/mol. IUPAC: methyl 3-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylpropanoate.
Chemical Property Profile of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate
Property Insights of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate
The XLogP value of 1.21782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 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 Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate. Following Lipinski's Rule of Five, Methyl 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 Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
The CAS number of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate is 403836-49-7.
What is the molecular formula of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
The molecular formula of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate is C10H14N2O4S.
What is the molecular weight of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
The molecular weight of Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate is 258.07 g/mol.
Where can I buy Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
You can request a quote for Methyl 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 Methyl 3-((2-((5-methylisoxazol-3-yl)amino)-2-oxoethyl)thio)propanoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 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.