chempirical

Disperse yellow 231

C25H24N4O4CAS 143067-35-0444.49 g/mol

Open in Covalent MOL file
NHONNOONO
AzoEsterNitrilePhenol

Properties

Molecular formula
C25H24N4O4
Molar mass
444.49 g/mol
Exact mass
444.1798 Da
logP
5.31Crippen estimate
Polar surface area
117.0 Ų
H-bond donors / acceptors
1 / 7
Rotatable bonds
8

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
143067-35-0
SMILES
CCCCn1c(O)c(N=Nc2ccc(C(=O)OCc3ccccc3)cc2)c(C)c(C#N)c1=O
InChIKey
NLBJUKCCXSUWHO-UHFFFAOYSA-N
InChI
InChI=1S/C25H24N4O4/c1-3-4-14-29-23(30)21(15-26)17(2)22(24(29)31)28-27-20-12-10-19(11-13-20)25(32)33-16-18-8-6-5-7-9-18/h5-13,31H,3-4,14,16H2,1-2H3

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Names and synonyms

5 names
  • Benzoic acid, 4-[2-(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)diazenyl]-, phenylmethyl ester
  • Benzoic acid, 4-[(1-butyl-5-cyano-1,6-dihydro-2-hydroxy-4-methyl-6-oxo-3-pyridinyl)azo]-, phenylmethyl ester
  • Foron brilliant yellow S 6GL
  • C.I. 128500
  • C.I. Disperse yellow 231

Work with Disperse yellow 231

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-Butyl-1,2-dihydro-6-hydroxy-4-methyl-2-oxo-3-pyridinecarbonitrile39108-47-939 % similar Benzyl 4-hydroxybenzoate94-18-838 % similar (4-Benzyloxycarbonylphenyl)boronic acid184000-11-136 % similar Benzyl butyl phthalate85-68-736 % similar Benzyl benzoate120-51-435 % similar Butyl benzoate136-60-733 % similar Pentyl benzoate2049-96-932 % similar 4-Cyanophenyl 4-butylbenzoate38690-77-632 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Methyl 2-ethoxy-1-[[2′-(hydroxyamidino)biphenyl-4-yl]methyl]-1H-benzimidazole-7-carboxylate147403-65-4

Elsewhere

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