13728-56-8

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13728-56-8 Structure

Identification	Back Directory
[Name] 4-(3-phenanthryl)butanoic acid
[CAS] 13728-56-8
[Synonyms] NSC-92828 HIV-1 Nef-IN-1 4-(3-phenanthryl)butanoic acid
[Molecular Formula] C18H16O2
[MDL Number] MFCD30741763
[MOL File] 13728-56-8.mol
[Molecular Weight] 264.32

Chemical Properties	Back Directory
[Melting point ] 138-139 °C
[Boiling point ] 487.2±14.0 °C(Predicted)
[density ] 1.211±0.06 g/cm3(Predicted)
[solubility ] Chloroform (Slightly), DMSO (Slightly)
[form ] Solid
[pka] 4.76±0.10(Predicted)
[color ] Pale Yellow ti Light Yellow
[InChI] InChI=1S/C18H16O2/c19-18(20)7-3-4-13-8-9-15-11-10-14-5-1-2-6-16(14)17(15)12-13/h1-2,5-6,8-12H,3-4,7H2,(H,19,20)
[InChIKey] NYIVWTWKIQOBKO-UHFFFAOYSA-N
[SMILES] C1=C2C(C3C(C=C2)=CC=CC=3)=CC(CCCC(O)=O)=C1

Hazard Information	Back Directory
[Uses] 3-Phenanthrenebutanoic Acid is an intermediate in the synthesis of novel polycyclic aromatic isomers of benz[a]anthracene containing a cyclopenta-fused ring.
[IC 50] HIV-1 Nef: 6.7 μM (Kd)

Spectrum Detail	Back Directory
[Spectrum Detail] 4-(3-phenanthryl)butanoic acid(13728-56-8)¹HNMR

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