![Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate structure](/static/products/1396/1396996-84-1.webp)
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate (CAS 1396996-84-1) is a chemical compound with molecular formula C17H24N2O6S and molecular weight 384.1355 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-[(4-nitrophenyl)methylsulfanyl]propanoate
Also Known As: ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate, 10P-029, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-[(4-nitrophenyl)methylsulfanyl]propanoate, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-{[(4-nitrophenyl)methyl]sulfanyl}propanoate, ethyl 2-(tert-butoxycarbonylamino)-3-[(4-nitrophenyl)methylsulfanyl]propanoate
Technical Specifications
| Molecular Formula | C17H24N2O6S |
| Molecular Weight | 384.1355 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 384.1355 Da |
| Heavy Atoms | 26 |
| Complexity | 481.0 |
| SMILES | CCOC(=O)C(CSCC1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
| InChIKey | CYCMJAXGJGLQCZ-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate
The XLogP value of 3.2 indicates that Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)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
What is the CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate is 1396996-84-1.
What is the molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate is C17H24N2O6S.
What is the molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate is 384.1355 g/mol.
Where can I buy Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.