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1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]thiourea

  • CAS No. 1314743-49-1

  • Cat. No. CS-0093590
  • Purity≥97%
  • MDL No.MFCD31707553

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

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]thiourea|CS-0093590

Structure of 1314743-49-1

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General Information

  • CAS No. 1314743-49-1
  • Cat. No. CS-0093590
  • Purity ≥97%
  • MDL No. MFCD31707553
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₉H₂₃F₆N₃S
  • Molecular Weight 439.46
  • Synonym(s) N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(1-pyrrolidinyl)cyclohexyl]-Thiourea
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2[C@@H](CCCC2)N3CCCC3

Description

This thiourea derivative features a sterically hindered cyclohexylpyrrolidine scaffold paired with electron-deficient trifluoromethylated aryl groups, delivering enhanced stability and tunable polarity. The combination enables efficient integration into functionalized molecular architectures for advanced synthetic applications.

Application

1-[3,5-Bis(trifluoromethyl)phenyl]-3-[(1R,2R)-2-(pyrrolidin-1-yl)cyclohexyl]thiourea serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocyclic scaffolds. Its trifluoromethylated aryl group enhances metabolic stability and lipophilicity, while the chiral cyclohexyl-pyrrolidine motif provides defined stereochemistry for structure-activity studies. The thiourea functionality facilitates hydrogen bonding interactions in target binding and supports efficient purification via crystallization or chromatography. This compound exhibits bench stability and tolerance to diverse reaction conditions, making it suitable for iterative synthesis campaigns in drug discovery.

Safety Information

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GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H413
Precautionary Statements : P264-P270-P273-P330-P501

Quality Control

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Computational Chemistry Data

  • TPSA   27.3
  • LogP   5.4176
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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