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CS-W001157 4
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1-(4-Chlorophenyl)cyclopentane-1-carboxylic acid

  • CAS No. 80789-69-1

  • Cat. No. CS-0070986
  • Purity≥97%
  • MDL No.MFCD00001373

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

1-(4-Chlorophenyl)cyclopentane-1-carboxylic acid|CS-0070986

Structure of 80789-69-1

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General Information

  • CAS No. 80789-69-1
  • Cat. No. CS-0070986
  • Purity ≥97%
  • MDL No. MFCD00001373
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₂H₁₃ClO₂
  • Molecular Weight 224.68
  • Synonym(s) 1-(4-Chlorophenyl)cyclopentanecarboxylic acid
  • SMILES O=C(O)C1(CCCC1)C(C=C2)=CC=C2Cl

Description

This cyclopentane carboxylic acid derivative features a para-chlorophenyl substituent, delivering enhanced lipophilicity and metabolic stability. The rigid cyclopentane scaffold provides conformational constraint, ideal for probing receptor binding pockets in medicinal chemistry applications. Bench-stable and compatible with standard synthetic workflows.

Synthesis

  • Route1

    References

    • Journal of Organic Chemistry, , vol. 59, # 21 p. 6464 - 6469
  • Route2

    References

    • Mndzhoyan, Sh. L.; Kramer, M. S.; Akopyan, S. G.; Grigoryan, M. M.; Ter-Zakharyan, Yu. Z.; et al. Pharmaceutical Chemistry Journal, 1992 , vol. 26, # 2 p. 169 - 173 Khimiko-Farmatsevticheskii Zhurnal, 1992 , vol. 26, # 2 p. 54 - 56

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-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   37.3
  • LogP   3.2364
  • H_Acceptors   1
  • H_Donors   1
  • Rotatable_Bonds   2

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