4-(4-Phenylbutoxy)-7H-furo[3,2-g]chromen-7-one
[CAS# 724709-68-6]

Identification

• Name: 4-(4-Phenylbutoxy)-7H-furo[3,2-g]chromen-7-one
• Synonyms: 5-(4-Phenylbutoxy)psoralen; Psora 4; Psora-4
• Molecular Formula: C₂₁H₁₈O₄
• Molecular Weight: 334.37
• CAS Registry Number: 724709-68-6
• SMILES: C1=CC=C(C=C1)CCCCOC2=C3C=CC(=O)OC3=CC4=C2C=CO4
• InChI: 1S/C21H18O4/c22-20-10-9-16-19(25-20)14-18-17(11-13-23-18)21(16)24-12-5-4-8-15-6-2-1-3-7-15/h1-3,6-7,9-11,13-14H,4-5,8,12H2
• InChIKey: JJAWGNIQEOFURP-UHFFFAOYSA-N

Properties

• Density: 1.2±0.1g/cm³ (Cal.)
• Boiling point: 537.7±50.0°C at 760 mmHg (Cal.)
• Flash point: 279.0±30.1°C (Cal.)
• Refractive index: 1.626 (Cal.)
• solubility: Soluble to 50 mM in DMSO and to 10 mM in ethanol

References

• (1): Laggner et al.. Chemical informatics and target identification in a zebrafish phenotypic screen, Nature Chemical Biology, 2011