Rel-4-cyano-3-fluorophenyl (1r,1's,4R,4'R)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate

Catalog No. :
ACGAWH749
CAS No. :
94353-27-2
Molecular Formula :
C25H34FNO2
Molecular Weight :
399.55

IUPAC Name:4-cyano-3-fluorophenyl (1r,1's,4R,4'R)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate

Rel-4-cyano-3-fluorophenyl (1r,1's,4R,4'R)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate structure diagram
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Product Information

Product NameRel-4-cyano-3-fluorophenyl (1r,1's,4R,4'R)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate
IUPAC Name4-cyano-3-fluorophenyl (1r,1's,4R,4'R)-4'-pentyl-[1,1'-bi(cyclohexane)]-4-carboxylate
Molecular FormulaC25H34FNO2
Molecular Weight399.55
SMILESO=C([C@H]1CC[C@H]([C@H]2CC[C@H](CCCCC)CC2)CC1)OC3=CC=C(C#N)C(F)=C3
InChI KeySVDMTUZFFVVQQG-IFSQOONMSA-N
Synonym(trans,trans)-4'-Pentyl-[1,1'-bicyclohexyl]-4-carboxylic acid 4-cyano-3-fluorophenyl ester;[1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl-, 4-cyano-3-fluorophenyl ester, (trans,trans)-;3-fluoro-4-cyanophenol pentadicyclohexylformate;1,1'-Bicyclohexyl]-4-carboxylic acid, 4'-pentyl-, 4-cyano-3-fluorophenyl ester, (trans,trans)-
CAS No.94353-27-2

Safety Data

Pictogram
Harmful or irritant
Signal Word
Achtung
Hazard Statement(s)
H302-H315-H319-H335
Precautionary Statement(s)
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501

Synthetic Route by SureRoute

1. ACGAWH749 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
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  3. reactant_2 route compound structure diagram
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  5. ACGAWH749 route product structure diagram
    ACGAWH74994353-27-2
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2. ACGAWH749 Molecular Building Block Synthetic Route

Source: SureRouteAuthor: aifchem

  1. reactant_1 route compound structure diagram
    --
  2. Plus
  3. reactant_2 route compound structure diagram
    --
  4. Then
  5. ACGAWH749 route product structure diagram
    ACGAWH74994353-27-2
Inquiry

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