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Atomfair Rel-4-cyano-3-fluorophenyl (1r,1’s,4R,4’R)-4′-pentyl-[1,1′-bi(cyclohexane)]-4-carboxylate C25H34FNO2 CAS 94353-27-2

Rel-4-cyano-3-fluorophenyl (1r,1’s,4R,4’R)-4′-pentyl-[1,1′-bi(cyclohexane)]-4-carboxylate (CAS: 94353-27-2) is a high-purity, synthetic organic compound with the molecular formula C25H34FNO2. This specialized chemical features a bi(cyclohexane) core functionalized with a cyano-fluorophenyl ester and a pentylcyclohexyl group, offering unique steric and electronic properties. Its IUPAC name is (4-cyano-3-fluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate , and it is characterized by its rigid, stereospecific structure. Ideal for advanced research applications, this compound is supplied with comprehensive analytical documentation including HPLC, NMR, and MS data to ensure quality and reproducibility. Suitable for use in liquid crystal research, organic synthesis, and materials science, it is packaged under inert conditions to maintain stability.

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Description

Rel-4-cyano-3-fluorophenyl (1r,1’s,4R,4’R)-4′-pentyl-[1,1′-bi(cyclohexane)]-4-carboxylate (CAS: 94353-27-2) is a high-purity, synthetic organic compound with the molecular formula C25H34FNO2. This specialized chemical features a bi(cyclohexane) core functionalized with a cyano-fluorophenyl ester and a pentylcyclohexyl group, offering unique steric and electronic properties. Its IUPAC name is (4-cyano-3-fluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate, and it is characterized by its rigid, stereospecific structure. Ideal for advanced research applications, this compound is supplied with comprehensive analytical documentation including HPLC, NMR, and MS data to ensure quality and reproducibility. Suitable for use in liquid crystal research, organic synthesis, and materials science, it is packaged under inert conditions to maintain stability.

Properties

  • CAS Number: 94353-27-2
  • Complexity: 554
  • IUPAC Name: (4-cyano-3-fluoro-phenyl) 4-(4-pentylcyclohexyl)cyclohexanecarboxylate
  • InChI: InChI=1S/C25H34FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-23-15-14-22(17-27)24(26)16-23/h14-16,18-21H,2-13H2,1H3
  • InChI Key: SVDMTUZFFVVQQG-UHFFFAOYSA-N
  • Exact Mass: 399.25735749
  • Molecular Formula: C25H34FNO2
  • Molecular Weight: 399.5
  • SMILES: CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=CC(=C(C=C3)C#N)F
  • Topological: 50.1
  • Monoisotopic Mass: 399.25735749
  • Synonyms: Rel-4-cyano-3-fluorophenyl (1r,1’s,4R,4’R)-4′-pentyl-[1,1′-bi(cyclohexane)]-4-carboxylate, 94353-27-2, 5bcHCaAFCP, SCHEMBL8054172, SCHEMBL8054174, SCHEMBL10483971, 4-cyano-3-fluorophenyl 4-(4-pentylcyclohexyl)cyclohexanecarboxylate

Application

This compound is primarily utilized in the development of advanced liquid crystal materials due to its rigid, stereospecific bi(cyclohexane) structure, which enhances thermal and optical properties. It serves as a key intermediate in organic synthesis for creating functionalized cyclohexane derivatives with potential applications in pharmaceuticals and agrochemicals. Researchers also explore its use in materials science for designing novel polymers and supramolecular assemblies.

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.

Disclaimer

Intended Use & Restrictions

This product is sold exclusively for laboratory research, analytical testing, or non-commercial purposes.

  • Strictly prohibited: Resale, repackaging, or formulation into commercial products.
  • Not approved for human/animal use, diagnostics, or manufacturing (including pharmaceuticals, agrochemicals, or consumer goods).

Patent & Regulatory Compliance

Certain molecules may be protected by active patents or regulatory restrictions.

  • Buyers must independently verify patent status (e.g., via USPTO/EPO/CNIPA) and comply with local laws.
  • Atomfair LLC does not provide legal assurances regarding patent non-infringement or jurisdictional compliance.

Liability Release

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  • Use this product only as permitted by law.
  • Indemnify Atomfair LLC against all claims arising from misuse, patent infringement, or regulatory violations.

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