![Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate structure](/static/products/1214/1214791-93-1.webp)
Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate
TL;DR: Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate (CAS 1214791-93-1) is a chemical compound with molecular formula C15H19F3N2O3 and molecular weight 332.13477 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
methyl 3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate
Also Known As: methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate, methyl 3,3-dimethyl-2-[[3-(trifluoromethyl)phenyl]carbamoylamino]butanoate, 5N-016, methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)butanoate, methyl3,3-dimethyl-2-({[3-(trifluoromethyl)phenyl]carbamoyl}amino)butanoate
Technical Specifications
| Molecular Formula | C15H19F3N2O3 |
| Molecular Weight | 332.13477 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 67.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 332.13477 Da |
| Heavy Atoms | 23 |
| Complexity | 433.0 |
| SMILES | CC(C)(C)C(C(=O)OC)NC(=O)NC1=CC=CC(=C1)C(F)(F)F |
| InChIKey | ZRRVLEAKPWSDAY-UHFFFAOYSA-N |
Chemical Property Profile of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate
Property Insights of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate
The XLogP value of 3.5 indicates that Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate 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 Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate. Following Lipinski's Rule of Five, Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate 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
What is the CAS number of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate?
The CAS number of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate is 1214791-93-1.
What is the molecular formula of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate?
The molecular formula of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate is C15H19F3N2O3.
What is the molecular weight of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate?
The molecular weight of Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate is 332.13477 g/mol.
Where can I buy Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate?
You can request a quote for Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate?
Yes, CoreyChem provides custom synthesis services for Methyl 3,3-dimethyl-2-({[3-(trifluoromethyl)anilino]carbonyl}amino)butanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.