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CS-W001157 4
Total: USD 88.00

3-(3-Benzothienyl)-D-alanine

  • CAS No. 111139-55-0

  • Cat. No. CS-0156020
  • Purity≥95%
  • MDL No.MFCD00079683

*For research and further manufacturing use only, not for direct human use.

3-(3-Benzothienyl)-D-alanine|CS-0156020

Structure of 111139-55-0

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General Information

  • CAS No. 111139-55-0
  • Cat. No. CS-0156020
  • Purity ≥95%
  • MDL No. MFCD00079683
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₁H₁₁NO₂S
  • Molecular Weight 221.28
  • Synonym(s) H-.beta.-(3-Benzothienyl)-D-Ala-OH
  • SMILES C1=CC=C2C(=C1)C(=CS2)C[C@H](C(=O)O)N

Synthesis

  • Route1
    • null|null
      144125-23-5
    • ~%
    • In-stock
      3-(3-Benzothienyl)-D-alanine|CS-0156020
      111139-55-0

    References

    • Kawakubo, Hiromu; Takagi, Seiji; Yamaura, Yuuji; Katoh, Shinichi; Ishimoto, Yumiko; et al. Journal of Medicinal Chemistry, 1993 , vol. 36, # 23 p. 3526 - 3532
  • Route2
    • null|null
      63024-19-1
    • ~%
    • In-stock
      3-(3-Benzothienyl)-D-alanine|CS-0156020
      111139-55-0

    References

    • Journal of Medicinal Chemistry, , vol. 36, # 23 p. 3526 - 3532
  • Route3
    • 2-Amino-3-(1-benzothiophen-3-yl)propanoic acid|CS-0309113
      1956-23-6
    • ~%
    • null|null
      5381-29-3
    • In-stock
      3-(3-Benzothienyl)-D-alanine|CS-0156020
      111139-55-0

    References

    • Chemistry - A European Journal, , vol. 12, # 10 p. 2739 - 2744

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   63.32
  • LogP   1.8557
  • H_Acceptors   3
  • H_Donors   2
  • Rotatable_Bonds   3

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