![ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate structure](/static/products/327/327101-31-5.png)
ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate
TL;DR: ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate (CAS 327101-31-5) is a chemical compound with molecular formula C19H22F6N2O7 and molecular weight 504.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[3-[(2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino]-4-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate
Also Known As: ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate, ethyl 2-[3-[(2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino]-4-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate, ethyl 2-acetamido-2-((5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl)amino)-3,3,3-trifluoropropanoate
| Molecular Formula | C19H22F6N2O7 |
|---|---|
| Molecular Weight | 504.13 g/mol |
| LogP | 2.3779 |
| Topological Polar Surface Area | 123.19 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 504.13312 |
| Heavy Atoms | 34 |
| Complexity | 921.3817 |
Chemical Identifiers
| CAS Number | 327101-31-5 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC(=C(C=C1)OC)NC(C(=O)OCC)(C(F)(F)F)NC(=O)C)(C(F)(F)F)O |
Product Overview
ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate (CAS 327101-31-5), with molecular formula C19H22F6N2O7 and molecular weight 504.13 g/mol. IUPAC: ethyl 2-[3-[(2-acetamido-3-ethoxy-1,1,1-trifluoro-3-oxopropan-2-yl)amino]-4-methoxyphenyl]-3,3,3-trifluoro-2-hydroxypropanoate.
Chemical Property Profile of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate
Property Insights of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate
The XLogP value of 2.3779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate. The TPSA of 123.19 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate. Following Lipinski's Rule of Five, ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate 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-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate?
The CAS number of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate is 327101-31-5.
What is the molecular formula of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate?
The molecular formula of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate is C19H22F6N2O7.
What is the molecular weight of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate?
The molecular weight of ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate is 504.13 g/mol.
Where can I buy ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate?
You can request a quote for ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-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 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 2-(acetylamino)-N-[5-(3-ethoxy-1,1,1-trifluoro-2-hydroxy-3-oxopropan-2-yl)-2-methoxyphenyl]-3,3,3-trifluoroalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.