![ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate structure](/static/products/339/339353-13-8.png)
ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate
TL;DR: ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate (CAS 339353-13-8) is a chemical compound with molecular formula C17H23F3N2O5 and molecular weight 392.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoropropanoate
Also Known As: ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate, ethyl 2-(acetylamino)-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluorop ropanoate, ethyl 2-acetamido-2-((3,4-dimethoxyphenethyl)amino)-3,3,3-trifluoropropanoate, Ethyl 2-acetamido-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoro-propanoate, ethyl 2-acetamido-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoropropanoate
| Molecular Formula | C17H23F3N2O5 |
|---|---|
| Molecular Weight | 392.16 g/mol |
| LogP | 1.7937 |
| Topological Polar Surface Area | 85.89 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 392.1559 |
| Heavy Atoms | 27 |
| Complexity | 666.4592 |
Chemical Identifiers
| CAS Number | 339353-13-8 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NCCC1=CC(=C(C=C1)OC)OC)NC(=O)C |
Product Overview
ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate (CAS 339353-13-8), with molecular formula C17H23F3N2O5 and molecular weight 392.16 g/mol. IUPAC: ethyl 2-acetamido-2-[2-(3,4-dimethoxyphenyl)ethylamino]-3,3,3-trifluoropropanoate.
Chemical Property Profile of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate
Property Insights of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate
The XLogP value of 1.7937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate. The TPSA of 85.89 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate has 2 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 N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate?
The CAS number of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate is 339353-13-8.
What is the molecular formula of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate?
The molecular formula of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate is C17H23F3N2O5.
What is the molecular weight of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate?
The molecular weight of ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate is 392.16 g/mol.
Where can I buy ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate?
You can request a quote for ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl N-acetyl-2-{[2-(3,4-dimethoxyphenyl)ethyl]amino}-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.