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N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]thiourea

  • CAS No. 1289514-24-4

  • Cat. No. CS-0093071
  • Purity≥97%
  • MDL No.None

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]thiourea|CS-0093071

Structure of 1289514-24-4

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General Information

  • CAS No. 1289514-24-4
  • Cat. No. CS-0093071
  • Purity ≥97%
  • MDL No. None
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₀H₂₅F₆N₃S
  • Molecular Weight 453.49
  • Synonym(s) N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]-Thiourea
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@@H]2CCCC[C@H]2N3CCCCC3

Description

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]thiourea features a sterically hindered cyclohexylpiperidine moiety paired with electron-deficient trifluoromethyl aryl groups, enabling high binding affinity in target-directed pharmacological studies. This bench-stable thiourea integrates readily into probe design workflows requiring enhanced metabolic resistance and membrane permeability.

Application

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(1-piperidinyl)cyclohexyl]thiourea serves as a versatile building block for bioactive molecule synthesis, leveraging the electron-withdrawing trifluoromethyl groups to enhance metabolic stability and membrane permeability. The thiourea core enables robust hydrogen bonding and coordination in target engagement, while the chiral cyclohexylpiperidine moiety provides conformational rigidity beneficial for structure-activity studies. Its bench-stable nature and compatibility with standard coupling protocols facilitate efficient incorporation into pharmaceutical scaffolds.

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   27.3
  • LogP   5.8077
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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