Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide
TL;DR: Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide (CAS 119777-90-1) is a chemical compound with molecular formula C18H21F6N3O3 and molecular weight 441.1487 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]pentanamide
Also Known As: TFLA, CF3-Leu-ala-NH-C6H4-CF3, 4-benzyloxy-2-fluoroacetophenone, Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide, (2S)-4-methyl-2-[(2,2,2-trifluoroacetyl)amino]-N-[(2S)-2-[4-(trifluoromethyl)anilino]propanoyl]pentanamide
Technical Specifications
| Molecular Formula | C18H21F6N3O3 |
| Molecular Weight | 441.1487 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 87.3 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 441.1487 Da |
| Heavy Atoms | 30 |
| Complexity | 613.0 |
| SMILES | C[C@@H](C(=O)NC(=O)[C@H](CC(C)C)NC(=O)C(F)(F)F)NC1=CC=C(C=C1)C(F)(F)F |
| InChIKey | AXGRINIFANQBKQ-GWCFXTLKSA-N |
Chemical Property Profile of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide
Property Insights of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide
The XLogP value of 4.5 indicates that Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide. Following Lipinski's Rule of Five, Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide?
The CAS number of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide is 119777-90-1.
What is the molecular formula of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide?
The molecular formula of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide is C18H21F6N3O3.
What is the molecular weight of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide?
The molecular weight of Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide is 441.1487 g/mol.
Where can I buy Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide?
You can request a quote for Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide?
Yes, CoreyChem provides custom synthesis services for Trifluoroacetyl-leucyl-alanyl-4-trifluoromethylanilide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.