Fmoc-L-3-Benzothienylalanine

Base Information

• Chemical Name: Fmoc-L-3-Benzothienylalanine
• CAS No.: 177966-60-8
• Molecular Formula: C₂₆H₂₁NO₄S
• Molecular Weight: 443.523
• Hs Code.: 2934999090
• European Community (EC) Number: 821-760-7
• DSSTox Substance ID: DTXSID70939015
• Wikidata: Q72478066
• Mol file: 177966-60-8.mol

Synonyms:177966-60-8;Fmoc-L-3-Benzothienylalanine;Fmoc-3-Ala(3-benzothienyl)-OH;Fmoc-beta-(3-benzothienyl)-L-alanine;(2S)-3-(1-benzothiophen-3-yl)-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoic acid;Fmoc-3-(3-benzothienyl)-L-alanine;Fmoc-beta-(3-benzothienyl)-Ala-OH;MFCD00672562;Fmoc-L-3-(3-Benzothienyl)alanine;Fmoc-L-3-Benzothienyl alanine;(S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzo[b]thiophen-3-yl)propanoic acid;Fmoc-Ala(3-Bzt)-OH;Fmoc-L3-Benzothienylalanine;SCHEMBL6790172;DTXSID70939015;BQIZNDWONIMCGM-QHCPKHFHSA-N;Fmoc--(3-benzothienyl)-L-alanine;AKOS015837218;AKOS015912201;AC-9642;CS-W011596;HY-W010880;(2S)-3-(1-benzothiophen-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid;PS-12138;A50220;EN300-637468;Fmoc-L3-BenZothienylalanine (Fmoc-L-Ala(benZothiophen-3-yl)-OH);(2S)-3-(1-benzothien-3-yl)-2-{[(9H-fluoren-9-ylmethoxy)carbonyl]amino}propanoic acid;(2S)-3-(1-benzothiophen-3-yl)-2-({[(9H-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid;(S)-3-Benzo[b]thiophen-3-yl-2-(9H-fluoren-9-ylmethoxycarbonylamino)-propionic acid;3-(1-Benzothiophen-3-yl)-N-{[(9H-fluoren-9-yl)methoxy](hydroxy)methylidene}alanine;Benzo[b]thiophene-3-propanoic acid, alpha-[[(9H-fluoren-9-ylmethoxy)carbonyl]amino]-, (alphaS)-

Chemical Property of Fmoc-L-3-Benzothienylalanine

Chemical Property:

• Vapor Pressure: 4.88E-20mmHg at 25°C
• Refractive Index: 1.687
• Boiling Point: 690.848 °C at 760 mmHg
• PKA: 3.74±0.10(Predicted)
• Flash Point: 371.612 °C
• PSA: 103.87000
• Density: 1.356 g/cm³
• LogP: 5.82660
• Storage Temp.: 2-8°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 7
• Exact Mass: 443.11912932
• Heavy Atom Count: 32
• Complexity: 665

Purity/Quality:

99.3% ^*data from raw suppliers

Fmoc-3-benzothienyl-L-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• 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=CSC5=CC=CC=C54)C(=O)O
• Isomeric SMILES: C1=CC=C2C(=C1)C(C3=CC=CC=C32)COC(=O)N[C@@H](CC4=CSC5=CC=CC=C54)C(=O)O
• Uses: It is potentially useful for proteomics studies and solid phase peptide synthesis techniques. Alanine is one of the simplest amino acids - a methyl group as the side chain. This small side chain confers a high degree of flexibility (second only to glycine) when incorporated into a polypeptide chain. The Fmoc group is typically removed with a base such as pyridine - an orthogonal de-protection strategy to the acid labilie Boc group.