![Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate structure](/static/products/1148/114872-59-2.webp)
Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate
TL;DR: Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate (CAS 114872-59-2) is a chemical compound with molecular formula C17H20F3NO5 and molecular weight 375.12936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate
Also Known As: diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate, BAS 00851313, diethyl 2-acetamido-2-(4-(trifluoromethyl)benzyl)malonate, 1,3-diethyl 2-acetamido-2-{[4-(trifluoromethyl)phenyl]methyl}propanedioate, AB01326096-02
Technical Specifications
| Molecular Formula | C17H20F3NO5 |
| Molecular Weight | 375.12936 g/mol |
| XLogP | 3.0 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 375.12936 Da |
| Heavy Atoms | 26 |
| Complexity | 495.0 |
| SMILES | CCOC(=O)C(CC1=CC=C(C=C1)C(F)(F)F)(C(=O)OCC)NC(=O)C |
| InChIKey | LXAJIJSLEAJJLQ-UHFFFAOYSA-N |
Chemical Property Profile of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate
Property Insights of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate
The XLogP value of 3.0 indicates that Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate. Following Lipinski's Rule of Five, Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate 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
What is the CAS number of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate?
The CAS number of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate is 114872-59-2.
What is the molecular formula of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate?
The molecular formula of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate is C17H20F3NO5.
What is the molecular weight of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate?
The molecular weight of Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate is 375.12936 g/mol.
Where can I buy Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate?
You can request a quote for Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate?
Yes, CoreyChem provides custom synthesis services for Diethyl 2-acetamido-2-[[4-(trifluoromethyl)phenyl]methyl]propanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.