Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate
TL;DR: Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate (CAS 305864-07-7) is a chemical compound with molecular formula C15H19F3N2O3 and molecular weight 332.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-acetamido-2-(2,4-dimethylanilino)-3,3,3-trifluoropropanoate
Also Known As: ethyl 2-(acetylamino)-N-(2,4-dimethylphenyl)-3,3,3-trifluoroalaninate, Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate, Ethyl 2-(acetylamino)-2-(2,4-dimethylanilino)-3,3,3-trifluoropropanoate #, ethyl 2-acetamido-2-((2,4-dimethylphenyl)amino)-3,3,3-trifluoropropanoate, ethyl 2-acetamido-2-(2,4-dimethylanilino)-3,3,3-trifluoropropanoate
| Molecular Formula | C15H19F3N2O3 |
|---|---|
| Molecular Weight | 332.13 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.13477 |
| Heavy Atoms | 23 |
| Complexity | 442.0 |
Chemical Identifiers
| CAS Number | 305864-07-7 |
|---|---|
| SMILES | CCOC(=O)C(C(F)(F)F)(NC1=C(C=C(C=C1)C)C)NC(=O)C |
| InChIKey | LHNUICSWWGGGMI-UHFFFAOYSA-N |
Product Overview
Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate (CAS 305864-07-7), with molecular formula C15H19F3N2O3 and molecular weight 332.13 g/mol. IUPAC: ethyl 2-acetamido-2-(2,4-dimethylanilino)-3,3,3-trifluoropropanoate.
Chemical Property Profile of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate
Property Insights of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate
The XLogP value of 3.9 indicates that Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate. Following Lipinski's Rule of Five, Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate has 2 hydrogen bond donor(s) and 7 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-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate?
The CAS number of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate is 305864-07-7.
What is the molecular formula of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate?
The molecular formula of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate is C15H19F3N2O3.
What is the molecular weight of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate?
The molecular weight of Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate is 332.13 g/mol.
Where can I buy Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate?
You can request a quote for Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-acetamido-3,3,3-trifluoro-2-(2,4-xylidino)propionate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.