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

  • CAS No. 1240466-16-3

  • Cat. No. CS-0093586
  • Purity≥97%
  • MDL No.MFCD30541681

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

N-[(1R,2R)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea|CS-0093586

Structure of 1240466-16-3

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General Information

  • CAS No. 1240466-16-3
  • Cat. No. CS-0093586
  • Purity ≥97%
  • MDL No. MFCD30541681
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₉H₂₉F₆N₃S
  • Molecular Weight 565.62
  • Synonym(s) N-[(1R,2R)-2-[bis(phenylMethyl)aMino]cyclohexyl]-N'-[3,5-bis(trifluoroMethyl)phenyl]-Thiourea
  • SMILES S=C(NC1=CC(C(F)(F)F)=CC(C(F)(F)F)=C1)N[C@H]2[C@H](N(CC3=CC=CC=C3)CC4=CC=CC=C4)CCCC2

Description

N-[(1R,2R)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea features a rigid chiral cyclohexyl scaffold paired with sterically demanding benzylamino groups and an electron-deficient trifluoromethylated aryl thiourea. This configuration enables selective binding in asymmetric catalysis and molecular recognition applications.

Application

N-[(1R,2R)-2-[Bis(phenylmethyl)amino]cyclohexyl]-N'-[3,5-bis(trifluoromethyl)phenyl]thiourea serves as a versatile chiral scaffold in medicinal chemistry, enabling the construction of complex heterocyclic systems through its bifunctional thiourea motif. The molecule exhibits enhanced stability and solubility in organic media, facilitating straightforward purification and compatibility with standard coupling protocols. Its trifluoromethylated aryl group imparts favorable lipophilic character and metabolic resistance, making it suitable for probe development and lead optimization campaigns.

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-H315-H319-H335
Precautionary Statements : P261-P280-P302+P352

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Computational Chemistry Data

  • TPSA   27.3
  • LogP   8.0242
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   7

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