(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid

Base Information

• Chemical Name: (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid
• CAS No.: 117666-96-3
• Molecular Formula: C₃₁H₂₅NO₅
• Molecular Weight: 491.543
• Hs Code.: 2924 29 70
• DSSTox Substance ID: DTXSID20557768
• Nikkaji Number: J2.022.077E
• Mol file: 117666-96-3.mol

Synonyms:Fmoc-Bpa-OH;117666-96-3;Fmoc-L-4-Benzoylphenylalanine;(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid;Fmoc-4-benzoyl-L-phenylalanine;Fmoc-p-Bz-Phe-OH;(2S)-3-(4-benzoylphenyl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;(2S)-3-(4-benzoylphenyl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid;MFCD00151937;Fmoc-Phe(4-Bzo)-OH;L-Phenylalanine, 4-benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-;SCHEMBL119699;Fmoc-Bpa-OH, >=98.0%;DTXSID20557768;4-Benzoyl-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-phenylalanine;AKOS015837271;AKOS015912035;CS-W011509;HY-W010793;SS-4126;A50197;A803811;J-502381;4-Benzoyl-N-{[(9H-fluoren-9-yl)methoxy]carbonyl}-L-phenylalanine;(S)-2-(((9H-fluoren-9-yl)methoxy)carbonylamino)-3-(4-benzoylphenyl)propanoic acid

Chemical Property of (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(4-benzoylphenyl)propanoic acid

Chemical Property:

• Vapor Pressure: 2.61E-22mmHg at 25°C
• Refractive Index: 1.644
• Boiling Point: 729.037 °C at 760 mmHg
• PKA: 3.68±0.10(Predicted)
• Flash Point: 394.708 °C
• PSA: 92.70000
• Density: 1.288 g/cm³
• LogP: 5.84290
• Storage Temp.: 2-8°C
• XLogP3: 6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 9
• Exact Mass: 491.17327290
• Heavy Atom Count: 37
• Complexity: 777

Purity/Quality:

98%,99%, ^*data from raw suppliers

Fmoc-4-benzoyl-L-phenylalanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CC(C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• Isomeric SMILES: C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35
• Uses: Fmoc-bpa-oh is a reagent used in the identification of potent muscarinic acetylcholine receptor antagonists.