(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid

Base Information

• Chemical Name: (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid
• CAS No.: 270065-78-6
• Molecular Formula: C₂₆H₂₂F₃NO₄
• Molecular Weight: 469.46
• DSSTox Substance ID: DTXSID201124213
• Mol file: 270065-78-6.mol

Synonyms:270065-78-6;(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid;Fmoc-(S)-3-Amino-4-(3-trifluoromethyl-phenyl)-butyric acid;(3S)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-4-[3-(trifluoromethyl)phenyl]butanoic acid;(3S)-3-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}-4-[3-(trifluoromethyl)phenyl]butanoic acid;Fmoc-3-trifluoromethyl-L-beta-homophenylalanine;SCHEMBL10231589;Fmoc-(S)-3-amino-4-(3-trifluoromethylphenyl)-butyric acid;SHSVTUCIAQWRSI-SFHVURJKSA-N;DTXSID201124213;MFCD01861068;AKOS015948738;CS-W016707;AC-22256;PS-12291;E70602;(S)-Fmoc-3-(trifluoromethyl)-beta-Homophe-OH, >=97.0% (HPLC);(S)-3-(((9H-fluoren-9-yl)methoxy)carbonylamino)-4-(3-(trifluoromethyl)phenyl)butanoic acid;(betaS)-beta-[[(9H-Fluoren-9-ylmethoxy)carbonyl]amino]-3-(trifluoromethyl)benzenebutanoic acid;(S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoicacid

Chemical Property of (S)-3-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-4-(3-(trifluoromethyl)phenyl)butanoic acid

Chemical Property:

• Vapor Pressure: 1.74E-16mmHg at 25°C
• Refractive Index: 1.582
• Boiling Point: 625 °C at 760 mmHg
• PKA: 4.36±0.10(Predicted)
• Flash Point: 331.8 °C
• PSA: 75.63000
• Density: 1.328 g/cm³
• LogP: 6.02080
• Storage Temp.: 2-8°C
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 469.15009267
• Heavy Atom Count: 34
• Complexity: 693

Purity/Quality:

98%min ^*data from raw suppliers

Fmoc-3-trifluoromethyl-L-beta-homophenylalanine ^*data from reagent suppliers

Safty Information:

• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)NC(CC4=CC(=CC=C4)C(F)(F)F)CC(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CC(=CC=C4)C(F)(F)F)CC(=O)O