Acetylalanyl-prolyl-valyl-trifluoromethyl ketone
TL;DR: Acetylalanyl-prolyl-valyl-trifluoromethyl ketone (CAS 116380-62-2) is a chemical compound with molecular formula C16H24F3N3O4 and molecular weight 379.1719 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(2S)-N-[(2S)-2-acetamidopropanoyl]-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carboxamide
Also Known As: Apv-tfmk, Acetylalanyl-prolyl-valyl-trifluoromethyl ketone, Trifluromethyl ketone, acetyl-alanyl-prolyl-valyl-, (S)-N-Acetyl-L-alanyl-N-(3,3,3-trifluoro-1-(1-methylethyl)-2-oxopropyl)-L-prolinamide, (2S)-N-[(2S)-2-acetamidopropanoyl]-1-[(3S)-1,1,1-trifluoro-4-methyl-2-oxopentan-3-yl]pyrrolidine-2-carboxamide
Technical Specifications
| Molecular Formula | C16H24F3N3O4 |
| Molecular Weight | 379.1719 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 95.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 379.1719 Da |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
| SMILES | C[C@@H](C(=O)NC(=O)[C@@H]1CCCN1[C@@H](C(C)C)C(=O)C(F)(F)F)NC(=O)C |
| InChIKey | HEOADFSIIIRXGH-DLOVCJGASA-N |
Chemical Property Profile of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone
Property Insights of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetylalanyl-prolyl-valyl-trifluoromethyl ketone. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetylalanyl-prolyl-valyl-trifluoromethyl ketone. Following Lipinski's Rule of Five, Acetylalanyl-prolyl-valyl-trifluoromethyl ketone has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone?
The CAS number of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone is 116380-62-2.
What is the molecular formula of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone?
The molecular formula of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone is C16H24F3N3O4.
What is the molecular weight of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone?
The molecular weight of Acetylalanyl-prolyl-valyl-trifluoromethyl ketone is 379.1719 g/mol.
Where can I buy Acetylalanyl-prolyl-valyl-trifluoromethyl ketone?
You can request a quote for Acetylalanyl-prolyl-valyl-trifluoromethyl ketone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Acetylalanyl-prolyl-valyl-trifluoromethyl ketone?
Yes, CoreyChem provides custom synthesis services for Acetylalanyl-prolyl-valyl-trifluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.