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CS-W001157 4
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4-Ethoxy-2,3-difluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl

  • CAS No. 189750-98-9

  • Cat. No. CS-0149886
  • Molecule weight358.46
  • Purity≥98%
  • MDL No.MFCD23115471

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

4-Ethoxy-2,3-difluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl|CS-0149886

Structure of 189750-98-9

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General Information

  • CAS No. 189750-98-9
  • Cat. No. CS-0149886
  • Purity ≥98%
  • MDL No. MFCD23115471
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₂₃H₂₈F₂O
  • Molecular Weight 358.46
  • Synonym(s) 4'-(Trans-4-propylcyclohexyl)-2,3-difluoro-4-ethoxy-1,1'-biphenyl
  • SMILES O(C1=CC=C(C(=C1F)F)C2=CC=C(C=C2)[C@@]3(CC[C@@](CC3)(CCC)[H])[H])CC

Description

This biphenyl derivative features a trans-4-propylcyclohexyl group enhancing lipophilicity and conformational rigidity, paired with ethoxy and difluoro substituents that fine-tune electronic distribution and solubility. The para-ethoxy and ortho-difluoro pattern enables precise tuning of steric and electronic properties for advanced materials or pharmaceutical intermediates.

Application

4-Ethoxy-2,3-difluoro-4'-(trans-4-propylcyclohexyl)-1,1'-biphenyl serves as a versatile building block in medicinal chemistry, enabling the construction of complex heterocyclic scaffolds and bioactive molecules. The trans-4-propylcyclohexyl moiety provides conformational rigidity and enhanced lipophilicity, while the difluoro substitution pattern facilitates metabolic stability and modulates electronic properties. The ethoxy group offers a handle for further functionalization. This compound exhibits bench stability and compatibility with standard cross-coupling reactions, making it well-suited for iterative synthesis in API development.

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-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

Quality Control

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Computational Chemistry Data

  • TPSA   9.23
  • LogP   7.1044
  • H_Acceptors   1
  • H_Donors   0
  • Rotatable_Bonds   6

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