![Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate structure](/static/products/1396/1396997-96-8.webp)
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate (CAS 1396997-96-8) is a chemical compound with molecular formula C17H22N2O7S and molecular weight 398.11 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-(4-nitrobenzoyl)sulfanylpropanoate
Also Known As: Bionet1_003776, ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate, 10P-141, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-(4-nitrobenzoylsulfanyl)propanoate, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrobenzoyl)sulfanylpropanoate
| Molecular Formula | C17H22N2O7S |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 2.9246 |
| Topological Polar Surface Area | 124.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 398.11478 |
| Heavy Atoms | 27 |
| Complexity | 698.22864 |
Chemical Identifiers
| CAS Number | 1396997-96-8 |
|---|---|
| SMILES | CCOC(=O)C(CSC(=O)C1=CC=C(C=C1)[N+](=O)[O-])NC(=O)OC(C)(C)C |
Product Overview
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate (CAS 1396997-96-8), with molecular formula C17H22N2O7S and molecular weight 398.11 g/mol. IUPAC: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-nitrobenzoyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate
The XLogP value of 2.9246 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate. The TPSA of 124.84 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate has 1 hydrogen bond donor(s) and 8 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-[(4-nitrobenzoyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate is 1396997-96-8.
What is the molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate is C17H22N2O7S.
What is the molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate is 398.11 g/mol.
Where can I buy Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)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-[(4-nitrobenzoyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(4-nitrobenzoyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.