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CS-W001157 4
Total: USD 88.00

2-(3,4,5-Trimethoxyphenyl)butanoic acid

  • CAS No. 195202-06-3

  • Cat. No. CS-0126654
  • Molecule weight254.28
  • Purity≥98%
  • MDL No.MFCD06245369

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

2-(3,4,5-Trimethoxyphenyl)butanoic acid|CS-0126654

Structure of 195202-06-3

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General Information

  • CAS No. 195202-06-3
  • Cat. No. CS-0126654
  • Purity ≥98%
  • MDL No. MFCD06245369
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₃H₁₈O₅
  • Molecular Weight 254.28
  • Synonym(s) Buibuilactone
  • SMILES CCC(C1=CC(OC)=C(OC)C(OC)=C1)C(O)=O

Synthesis

  • Route1
    • In-stock
      3,4,5-Trimethoxyphenylacetic acid|CS-W010429
      951-82-6
    • null|null
      75-03-6
    • ~83%
    • In-stock
      2-(3,4,5-Trimethoxyphenyl)butanoic acid|CS-0126654
      195202-06-3

    References

    • Ariad Gene Therapeutics, Inc. Patent: US6566073 B1, 2003 ;
  • Route2

    References

    • Yang, Wu; Rozamus, Leonard W.; Narula, Surinder; Rollins, Carl T.; Yuan, Ruth; Andrade, Lawrence J.; Ram, Mary K.; Phillips, Thomas B.; Van Schravendijk, Marie Rose; Dalgarno, David; Clackson, Tim; Holt, Dennis A. Journal of Medicinal Chemistry, 2000 , vol. 43, # 6 p. 1135 - 1142

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   64.99
  • LogP   2.2906
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   6

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