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Ethyl 3-(2-(chloromethyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate

  • CAS No. 1307233-94-8

  • Cat. No. CS-0361472
  • Molecule weight400.86
  • Purity≥98%
  • MDL No.MFCD23135630

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

Ethyl 3-(2-(chloromethyl)-1-methyl-N-(pyridin-2-yl)-1H-benzo[d]imidazole-5-carboxamido)propanoate|CS-0361472

Structure of 1307233-94-8

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General Information

  • CAS No. 1307233-94-8
  • Cat. No. CS-0361472
  • Purity ≥98%
  • MDL No. MFCD23135630
  • Storage Sealed in dry,2-8℃
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₁ClN₄O₃
  • Molecular Weight 400.86
  • Synonym(s) n-((2-(chloromethyl)-1-methyl-1h-benzimidazol-5-yl)carbonyl)-n-2-pyridinyl-beta-alanine ethyl ester
  • SMILES CCOC(=O)CCN(C1=CC=CC=N1)C(=O)C2=CC3=C(C=C2)N(C)C(=N3)CCl

Synthesis

  • Route1

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2011/275824 A1, 2011 ; Location in patent: Page/Page column 5 ;
  • Route2

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2011/275824 A1, 2011 ; Location in patent: Page/Page column 5 ;
  • Route3

    References

    • BOEHRINGER INGELHEIM INTERNATIONAL GMBH Patent: US2011/275824 A1, 2011 ; Location in patent: Page/Page column 5 ;

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   77.32
  • LogP   3.3071
  • H_Acceptors   6
  • H_Donors   0
  • Rotatable_Bonds   7

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