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CS-W001157 4
Total: USD 88.00

4-Cyanophenyl trans-4-propylcyclohexane-1-carboxylate

  • CAS No. 62439-33-2

  • Cat. No. CS-0168518
  • Purity≥98%
  • MDL No.MFCD09750936

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

4-Cyanophenyl trans-4-propylcyclohexane-1-carboxylate|CS-0168518

Structure of 62439-33-2

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General Information

  • CAS No. 62439-33-2
  • Cat. No. CS-0168518
  • Purity ≥98%
  • MDL No. MFCD09750936
  • Storage Store at room temperature
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₁₇H₂₁NO₂
  • Molecular Weight 271.35
  • Synonym(s) Cyclohexanecarboxylic acid, 4-propyl-, 4-cyanophenyl ester, trans-
  • SMILES O=C([C@H]1CC[C@H](CCC)CC1)OC2=CC=C(C#N)C=C2

Description

This trans-4-propylcyclohexane-1-carboxylate features a 4-cyanophenyl ester group, delivering enhanced thermal stability and solubility in polar organic media. The rigid cyclohexane core imparts structural integrity, while the para-cyano substitution enables strong dipole interactions. Ideal for liquid crystal formulations requiring precise molecular alignment and low viscosity under standard conditions.

Application

4-Cyanophenyl trans-4-propylcyclohexane-1-carboxylate serves as a versatile building block in medicinal chemistry, enabling efficient introduction of both aryl and cyclohexyl functionalities. The ester group facilitates selective derivatization, while the nitrile moiety offers robust compatibility with standard transformations. Its trans-configured cyclohexane ring provides defined stereochemistry and conformational stability, enhancing utility in scaffold-based 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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   50.09
  • LogP   4.07018
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   4

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