![(2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid structure](/static/products/1339/133992-79-7.webp)
(2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
TL;DR: (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid (CAS 133992-79-7) is a chemical compound with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
Also Known As: J1.830.264K, N-[(Z)-4,4,4-Trifluoro-3-oxo-1-butenyl]phenylalanine, N-[(Z)-4,4,4-Trifluoro-3-oxo-1-butenyl]-L-phenylalanine, 3-Phenyl-2-(4,4,4-trifluoro-3-oxo-but-1-enylamino)-propionic acid, 3-phenyl-2-[(4,4,4-trifluoro-3-oxo-but-1-enyl)amino]propanoic Acid
| Molecular Formula | C13H12F3NO3 |
|---|---|
| Molecular Weight | 287.08 g/mol |
| LogP | 1.917 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 287.07693 |
| Heavy Atoms | 20 |
| Complexity | 497.3329 |
Chemical Identifiers
| CAS Number | 133992-79-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)C[C@@H](C(=O)O)N/C=C\C(=O)C(F)(F)F |
Product Overview
(2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid (CAS 133992-79-7), with molecular formula C13H12F3NO3 and molecular weight 287.08 g/mol. IUPAC: (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid.
Chemical Property Profile of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
Property Insights of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid
The XLogP value of 1.917 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid. Following Lipinski's Rule of Five, (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid 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 (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid?
The CAS number of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid is 133992-79-7.
What is the molecular formula of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid?
The molecular formula of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid is C13H12F3NO3.
What is the molecular weight of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid?
The molecular weight of (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid is 287.08 g/mol.
Where can I buy (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid?
You can request a quote for (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (2S)-3-phenyl-2-[[(Z)-4,4,4-trifluoro-3-oxobut-1-enyl]amino]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.