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

  • CAS No. 820242-14-6

  • Cat. No. CS-0091854
  • Molecule weightNone
  • Purity≥98%
  • MDL No.MFCD30489127

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

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)cyclohexyl]urea|CS-0091854

Structure of 820242-14-6

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General Information

  • CAS No. 820242-14-6
  • Cat. No. CS-0091854
  • Purity ≥98%
  • MDL No. MFCD30489127
  • Storage 4°C, protect from light, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₁F₆N₃O
  • Molecular Weight None
  • Synonym(s) N-[3,5-bis(trifluoroMethyl)phenyl]-N'-[(1R,2R)-2-(diMethylaMino)cyclohexyl]-Urea
  • SMILES O=C(N[C@H]1[C@H](N(C)C)CCCC1)NC2=CC(C(F)(F)F)=CC(C(F)(F)F)=C2

Description

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)cyclohexyl]urea features a sterically defined cyclohexyl amine scaffold paired with a highly electron-deficient aryl group, enabling robust hydrogen bonding and enhanced binding affinity in target-directed synthesis. This bench-stable urea integrates seamlessly into medicinal chemistry campaigns requiring polar, rigid scaffolds with improved metabolic resistance.

Application

N-[3,5-Bis(trifluoromethyl)phenyl]-N'-[(1R,2R)-2-(dimethylamino)cyclohexyl]urea serves as a versatile building block in medicinal chemistry, enabling the construction of bioactive heterocycles through standard urea coupling protocols. The trifluoromethyl groups confer enhanced metabolic stability and lipophilicity, while the chiral cyclohexylamine moiety provides a rigid scaffold for stereocontrolled interactions. Bench-stable and amenable to purification via standard chromatographic methods, it facilitates efficient synthesis of target molecules in drug discovery campaigns.

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 : P260-P264-P270-P271-P280-P301+P310-P302+P352-P304+P340-P305+P351+P338-P312-P330-P332+P313-P337+P313-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   44.37
  • LogP   4.7185
  • H_Acceptors   2
  • H_Donors   2
  • Rotatable_Bonds   3

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