![(3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid structure](/static/products/151/151871-94-2.webp)
(3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid
TL;DR: (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid (CAS 151871-94-2) is a chemical compound with molecular formula C12H12F3NO3 and molecular weight 275.07693 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid
Also Known As: (R,S)-N-phenylacetyl-3-amino-4,4,4-trifluorobutyric acid, (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid
Technical Specifications
| Molecular Formula | C12H12F3NO3 |
| Molecular Weight | 275.07693 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 275.07693 Da |
| Heavy Atoms | 19 |
| Complexity | 325.0 |
| SMILES | C1=CC=C(C=C1)CC(=O)N[C@@H](CC(=O)O)C(F)(F)F |
| InChIKey | DABUJMJYMRAKLO-VIFPVBQESA-N |
Chemical Property Profile of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid
Property Insights of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid. Following Lipinski's Rule of Five, (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid 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 (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid?
The CAS number of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid is 151871-94-2.
What is the molecular formula of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid?
The molecular formula of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid is C12H12F3NO3.
What is the molecular weight of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid?
The molecular weight of (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid is 275.07693 g/mol.
Where can I buy (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid?
You can request a quote for (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid?
Yes, CoreyChem provides custom synthesis services for (3S)-4,4,4-trifluoro-3-[(2-phenylacetyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.