N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone
TL;DR: N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone (CAS 113216-35-6) is a chemical compound with molecular formula C18H23F3N2O3 and molecular weight 372.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
Also Known As: N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone, Trifluoro(Ac-L-Leu-L-Phe-)methane, N-Acetyl-L-leucyl-L-phenylalanyltrifluoromethane, DL-Isoleucine, N-(2,4-dinitrophenyl)-, (2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide
| Molecular Formula | C18H23F3N2O3 |
|---|---|
| Molecular Weight | 372.17 g/mol |
| LogP | 2.3961 |
| Topological Polar Surface Area | 75.27 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 372.16608 |
| Heavy Atoms | 26 |
| Complexity | 630.31854 |
Chemical Identifiers
| CAS Number | 113216-35-6 |
|---|---|
| SMILES | CC(C)C[C@@H](C(=O)N[C@@H](CC1=CC=CC=C1)C(=O)C(F)(F)F)NC(=O)C |
Product Overview
N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone (CAS 113216-35-6), with molecular formula C18H23F3N2O3 and molecular weight 372.17 g/mol. IUPAC: (2S)-2-acetamido-4-methyl-N-[(2S)-4,4,4-trifluoro-3-oxo-1-phenylbutan-2-yl]pentanamide.
Chemical Property Profile of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone
Property Insights of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone
The XLogP value of 2.3961 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone. The TPSA of 75.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone. Following Lipinski's Rule of Five, N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone has 2 hydrogen bond donor(s) and 3 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 N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone?
The CAS number of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone is 113216-35-6.
What is the molecular formula of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone?
The molecular formula of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone is C18H23F3N2O3.
What is the molecular weight of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone?
The molecular weight of N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone is 372.17 g/mol.
Where can I buy N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone?
You can request a quote for N-Acetyl-leucyl-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 N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone?
Yes, KEHONG BIO provides custom synthesis services for N-Acetyl-leucyl-phenylalanyl trifluoromethyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.