ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
TL;DR: ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate (CAS 370071-41-3) is a chemical compound with molecular formula C20H24F6N2O7 and molecular weight 518.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]amino]-4-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate, ethyl 2-[3-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]amino]-4-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate, ethyl N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoro-2-(propanoylamino)alaninate
| Molecular Formula | C20H24F6N2O7 |
|---|---|
| Molecular Weight | 518.15 g/mol |
| LogP | 2.768 |
| Topological Polar Surface Area | 123.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.14874 |
| Heavy Atoms | 35 |
| Complexity | 937.519 |
Chemical Identifiers
| CAS Number | 370071-41-3 |
|---|---|
| SMILES | CCC(=O)NC(C(=O)OCC)(C(F)(F)F)NC1=C(C=CC(=C1)C(C(=O)OCC)(C(F)(F)F)O)OC |
Product Overview
ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate (CAS 370071-41-3), with molecular formula C20H24F6N2O7 and molecular weight 518.15 g/mol. IUPAC: ethyl 2-[3-[[3-ethoxy-1,1,1-trifluoro-3-oxo-2-(propanoylamino)propan-2-yl]amino]-4-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
Property Insights of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate
The XLogP value of 2.768 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate. The TPSA of 123.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate. Following Lipinski's Rule of Five, ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
The CAS number of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is 370071-41-3.
What is the molecular formula of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
The molecular formula of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is C20H24F6N2O7.
What is the molecular weight of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
The molecular weight of ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate is 518.15 g/mol.
Where can I buy ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
You can request a quote for ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoro-2-propionamidopropanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.