![Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate structure](/static/products/917/917883-41-1.png)
Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate
TL;DR: Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate (CAS 917883-41-1) is a chemical compound with molecular formula C13H23NO4S and molecular weight 289.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanylpropanoate
Also Known As: ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate, 10P-036, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanylpropanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(prop-2-en-1-ylsulfanyl)propanoate, ethyl2-{[(tert-butoxy)carbonyl]amino}-3-(prop-2-en-1-ylsulfanyl)propanoate
| Molecular Formula | C13H23NO4S |
|---|---|
| Molecular Weight | 289.13 g/mol |
| LogP | 2.362 |
| Topological Polar Surface Area | 64.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 289.13477 |
| Heavy Atoms | 19 |
| Complexity | 312.2553 |
Chemical Identifiers
| CAS Number | 917883-41-1 |
|---|---|
| SMILES | CCOC(=O)C(CSCC=C)NC(=O)OC(C)(C)C |
Product Overview
Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate (CAS 917883-41-1), with molecular formula C13H23NO4S and molecular weight 289.13 g/mol. IUPAC: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-prop-2-enylsulfanylpropanoate.
Chemical Property Profile of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate
Property Insights of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate
The XLogP value of 2.362 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate. The TPSA of 64.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate. Following Lipinski's Rule of Five, Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate 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 Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate?
The CAS number of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate is 917883-41-1.
What is the molecular formula of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate?
The molecular formula of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate is C13H23NO4S.
What is the molecular weight of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate?
The molecular weight of Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate is 289.13 g/mol.
Where can I buy Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate?
You can request a quote for Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]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-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-(allylsulfanyl)-2-[(tert-butoxycarbonyl)amino]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.