![2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid structure](/static/products/1025/1025773-21-0.webp)
2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
TL;DR: 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid (CAS 1025773-21-0) is a chemical compound with molecular formula C17H23F3N2O3 and molecular weight 360.16608 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Also Known As: 2-(hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid, F1278-0470, 2-(HEXYLAMINO)-3-{[3-(TRIFLUOROMETHYL)PHENYL]CARBAMOYL}PROPANOIC ACID, 2-(hexylamino)-4-oxo-4-((3-(trifluoromethyl)phenyl)amino)butanoic acid, 2-(hexylamino)-3-[[3-(trifluoromethyl)phenyl]carbamoyl]propanoic Acid
Technical Specifications
| Molecular Formula | C17H23F3N2O3 |
| Molecular Weight | 360.16608 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 78.4 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 360.16608 Da |
| Heavy Atoms | 25 |
| Complexity | 430.0 |
| SMILES | CCCCCCNC(CC(=O)NC1=CC=CC(=C1)C(F)(F)F)C(=O)O |
| InChIKey | RIDYCJCZJDCQKS-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
Property Insights of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid. The TPSA of 78.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid. Following Lipinski's Rule of Five, 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid has 3 hydrogen bond donor(s) and 7 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-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
The CAS number of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is 1025773-21-0.
What is the molecular formula of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
The molecular formula of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is C17H23F3N2O3.
What is the molecular weight of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
The molecular weight of 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid is 360.16608 g/mol.
Where can I buy 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
You can request a quote for 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Hexylamino)-4-oxo-4-[3-(trifluoromethyl)anilino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.