![ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate structure](/static/products/1396/1396968-78-7.webp)
ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate
TL;DR: ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate (CAS 1396968-78-7) is a chemical compound with molecular formula C15H25NO6S and molecular weight 347.14026 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxo-2-prop-2-enoxyethyl)sulfanylpropanoate
Also Known As: ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate, 10P-125, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-oxo-2-prop-2-enoxyethyl)sulfanylpropanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-{[2-oxo-2-(prop-2-en-1-yloxy)ethyl]sulfanyl}propanoate, ethyl2-{[(tert-butoxy)carbonyl]amino}-3-{[2-oxo-2-(prop-2-en-1-yloxy)ethyl]sulfanyl}propanoate
Technical Specifications
| Molecular Formula | C15H25NO6S |
| Molecular Weight | 347.14026 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 347.14026 Da |
| Heavy Atoms | 23 |
| Complexity | 419.0 |
| SMILES | CCOC(=O)C(CSCC(=O)OCC=C)NC(=O)OC(C)(C)C |
| InChIKey | CWFJALXWVWMLHD-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate
Property Insights of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate. Following Lipinski's Rule of Five, ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate?
The CAS number of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate is 1396968-78-7.
What is the molecular formula of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate?
The molecular formula of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate is C15H25NO6S.
What is the molecular weight of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate?
The molecular weight of ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate is 347.14026 g/mol.
Where can I buy ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate?
You can request a quote for ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate?
Yes, CoreyChem provides custom synthesis services for ethyl 3-{[2-(allyloxy)-2-oxoethyl]sulfanyl}-2-[(tert-butoxycarbonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.