Acetyl-phenylalanyl trifluoromethyl ketone
TL;DR: Acetyl-phenylalanyl trifluoromethyl ketone (CAS 128656-63-3) is a chemical compound with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
Also Known As: Acetyl-phenylalanyl trifluoromethyl ketone, 1,1,1-trifluoro-3-acetamido-4-phenyl butan-2-one(n-acetyl-l-phenylalanyl trifluoromethyl ketone), N-(2-AMINO-CYCLOHEXYL)-ACETAMIDE, Trifluoro(N-acetyl-L-phenylalanyl)methane, N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide
| Molecular Formula | C12H12F3NO2 |
|---|---|
| Molecular Weight | 259.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.082 |
| Heavy Atoms | 18 |
| Complexity | 309.0 |
Chemical Identifiers
| CAS Number | 128656-63-3 |
|---|---|
| SMILES | CC(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F |
| InChIKey | JTIIYPHJIDENCW-JTQLQIEISA-N |
Product Overview
Acetyl-phenylalanyl trifluoromethyl ketone (CAS 128656-63-3), with molecular formula C12H12F3NO2 and molecular weight 259.08 g/mol. IUPAC: N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]acetamide.
Chemical Property Profile of Acetyl-phenylalanyl trifluoromethyl ketone
Property Insights of Acetyl-phenylalanyl trifluoromethyl ketone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetyl-phenylalanyl trifluoromethyl ketone. With a topological polar surface area (TPSA) of 46.2 Ų, Acetyl-phenylalanyl trifluoromethyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Acetyl-phenylalanyl trifluoromethyl ketone has 1 hydrogen bond donor(s) and 5 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 Acetyl-phenylalanyl trifluoromethyl ketone?
The CAS number of Acetyl-phenylalanyl trifluoromethyl ketone is 128656-63-3.
What is the molecular formula of Acetyl-phenylalanyl trifluoromethyl ketone?
The molecular formula of Acetyl-phenylalanyl trifluoromethyl ketone is C12H12F3NO2.
What is the molecular weight of Acetyl-phenylalanyl trifluoromethyl ketone?
The molecular weight of Acetyl-phenylalanyl trifluoromethyl ketone is 259.08 g/mol.
Where can I buy Acetyl-phenylalanyl trifluoromethyl ketone?
You can request a quote for Acetyl-phenylalanyl trifluoromethyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetyl-phenylalanyl trifluoromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Acetyl-phenylalanyl trifluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.