2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate
TL;DR: 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate (CAS 1004700-56-4) is a chemical compound with molecular formula C14H16F3NO3 and molecular weight 303.10822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
[2-(tert-butylamino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
Also Known As: 2-(tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate, [2-(tert-butylamino)-2-oxoethyl] 4-(trifluoromethyl)benzoate
Technical Specifications
| Molecular Formula | C14H16F3NO3 |
| Molecular Weight | 303.10822 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.10822 Da |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
| SMILES | CC(C)(C)NC(=O)COC(=O)C1=CC=C(C=C1)C(F)(F)F |
| InChIKey | NZROJLCTWWAWQR-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate
Property Insights of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate
The XLogP value of 3.1 indicates that 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate has 1 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 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate?
The CAS number of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate is 1004700-56-4.
What is the molecular formula of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate?
The molecular formula of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate is C14H16F3NO3.
What is the molecular weight of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate?
The molecular weight of 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate is 303.10822 g/mol.
Where can I buy 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate?
You can request a quote for 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate?
Yes, CoreyChem provides custom synthesis services for 2-(Tert-butylamino)-2-oxoethyl 4-(trifluoromethyl)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.