![Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate structure](/static/products/968/96846-35-4.png)
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate (CAS 96846-35-4) is a chemical compound with molecular formula C14H25NO6S and molecular weight 335.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
Also Known As: ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate, ethyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate, ethyl2-{[(tert-butoxy)carbonyl]amino}-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
| Molecular Formula | C14H25NO6S |
|---|---|
| Molecular Weight | 335.14 g/mol |
| LogP | 1.7391 |
| Topological Polar Surface Area | 90.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 335.14026 |
| Heavy Atoms | 22 |
| Complexity | 380.01956 |
Chemical Identifiers
| CAS Number | 96846-35-4 |
|---|---|
| SMILES | CCOC(=O)CSCC(C(=O)OCC)NC(=O)OC(C)(C)C |
Product Overview
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate (CAS 96846-35-4), with molecular formula C14H25NO6S and molecular weight 335.14 g/mol. IUPAC: ethyl 3-(2-ethoxy-2-oxoethyl)sulfanyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate.
Chemical Property Profile of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate
The XLogP value of 1.7391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate. The TPSA of 90.93 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]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
Frequently Asked Questions
What is the CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate is 96846-35-4.
What is the molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate is C14H25NO6S.
What is the molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate is 335.14 g/mol.
Where can I buy Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-ethoxy-2-oxoethyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.