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Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate
TL;DR: Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate (CAS 1396971-64-4) is a chemical compound with molecular formula C18H25NO5S and molecular weight 367.15 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-(2-phenylacetyl)sulfanylpropanoate
Also Known As: ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate, 10P-130, ethyl 2-{[(tert-butoxy)carbonyl]amino}-3-[(2-phenylacetyl)sulfanyl]propanoate, ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-phenylacetyl)sulfanylpropanoate, Ethyl N-(tert-butoxycarbonyl)-S-(2-phenylacetyl)cysteinate
| Molecular Formula | C18H25NO5S |
|---|---|
| Molecular Weight | 367.15 g/mol |
| LogP | 2.9453 |
| Topological Polar Surface Area | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.14536 |
| Heavy Atoms | 25 |
| Complexity | 582.8793 |
Chemical Identifiers
| CAS Number | 1396971-64-4 |
|---|---|
| SMILES | CCOC(=O)C(CSC(=O)CC1=CC=CC=C1)NC(=O)OC(C)(C)C |
Product Overview
Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate (CAS 1396971-64-4), with molecular formula C18H25NO5S and molecular weight 367.15 g/mol. IUPAC: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(2-phenylacetyl)sulfanylpropanoate.
Chemical Property Profile of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate
Property Insights of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate
The XLogP value of 2.9453 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate. Following Lipinski's Rule of Five, Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate has 1 hydrogen bond donor(s) and 6 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-phenylacetyl)sulfanyl]propanoate?
The CAS number of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate is 1396971-64-4.
What is the molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate?
The molecular formula of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate is C18H25NO5S.
What is the molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate?
The molecular weight of Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate is 367.15 g/mol.
Where can I buy Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate?
You can request a quote for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)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-phenylacetyl)sulfanyl]propanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-[(tert-butoxycarbonyl)amino]-3-[(2-phenylacetyl)sulfanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.