3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid
TL;DR: 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid (CAS 117291-25-5) is a chemical compound with molecular formula C11H9ClF3NO3 and molecular weight 295.0223 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic acid
Also Known As: 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid, 3-(4-chlorophenyl)-3-[(2,2,2-trifluoroacetyl)amino]propanoic Acid, 2817AA, 3-(4-chlorophenyl)-3-(trifluoroacetamido)propanoic acid, chlorophenyltrifluoroacetylaminopropanoicacid
Technical Specifications
| Molecular Formula | C11H9ClF3NO3 |
| Molecular Weight | 295.0223 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.0223 Da |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
| SMILES | C1=CC(=CC=C1C(CC(=O)O)NC(=O)C(F)(F)F)Cl |
| InChIKey | VKCARISYMQSVEI-UHFFFAOYSA-N |
Chemical Property Profile of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid
Property Insights of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid. Following Lipinski's Rule of Five, 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic 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 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid?
The CAS number of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid is 117291-25-5.
What is the molecular formula of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid?
The molecular formula of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid is C11H9ClF3NO3.
What is the molecular weight of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid?
The molecular weight of 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid is 295.0223 g/mol.
Where can I buy 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid?
You can request a quote for 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chlorophenyl)-3-(2,2,2-trifluoroacetamido)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.