![4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid structure](/static/products/974/97403-69-5.png)
4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid
TL;DR: 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid (CAS 97403-69-5) is a chemical compound with molecular formula C12H10F3NO4 and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxo-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
Also Known As: 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid, 4-oxo-4-phenyl-2-(2,2,2-trifluoroacetamido)butanoic acid, 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid #, 4-Oxo-4-phenyl-2-(2,2,2-trifluoroacetylamino)butanoic acid, 4-oxo-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid
| Molecular Formula | C12H10F3NO4 |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 83.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05618 |
| Heavy Atoms | 20 |
| Complexity | 389.0 |
Chemical Identifiers
| CAS Number | 97403-69-5 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)CC(C(=O)O)NC(=O)C(F)(F)F |
| InChIKey | RGFFVHICWSNKLG-UHFFFAOYSA-N |
Product Overview
4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid (CAS 97403-69-5), with molecular formula C12H10F3NO4 and molecular weight 289.06 g/mol. IUPAC: 4-oxo-4-phenyl-2-[(2,2,2-trifluoroacetyl)amino]butanoic acid.
Chemical Property Profile of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid
Property Insights of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid. The TPSA of 83.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid?
The CAS number of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid is 97403-69-5.
What is the molecular formula of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid?
The molecular formula of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid is C12H10F3NO4.
What is the molecular weight of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid?
The molecular weight of 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid is 289.06 g/mol.
Where can I buy 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid?
You can request a quote for 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Oxo-4-phenyl-2-[(trifluoroacetyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.