TYRPHOSTIN B46

The 2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)-, (2E)-, with the CAS registry number of 133550-34-2, is also known as N-(3'-Phenylpropyl)-3,4-dihydroxybenzylidenecyanoacetamide. It belongs to the product categories of Protein Kinase; Intracellular Signaling. Its molecular formula is C₁₉H₁₈N₂O₃ and molecular weight is 322.36. What's more, its systematic name is (2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)prop-2-enamide.

Physical properties about the 2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-(3-phenylpropyl)-, (2E)- are: (1)ACD/LogP: 2.74; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.74; (4)ACD/LogD (pH 7.4): 2.71; (5)ACD/BCF (pH 5.5): 70.75; (6)ACD/BCF (pH 7.4): 66.54; (7)ACD/KOC (pH 5.5): 733.74; (8)ACD/KOC (pH 7.4): 690.11; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 62.56 Å²; (13)Index of Refraction: 1.649; (14)Molar Refractivity: 92.3 cm³; (15)Molar Volume: 253.1 cm³; (16)Surface Tension: 61.5 dyne/cm; (17)Density: 1.273 g/cm³; (18)Flash Point: 329.4 °C; (19)Enthalpy of Vaporization: 95.4 kJ/mol; (20)Boiling Point: 621.1 °C at 760 mmHg; (21)Vapour Pressure: 5.09E-16 mmHg at 25 °C.

Preparation: this chemical is prepared by reaction of 3,4-Dihydroxy-benzaldehyde with 2-Cyano-N-(3-phenyl-propyl)-acetamide. The yield is about 57 %.

When you are using this chemical, please be cautious about it as the following:
The dust of this chemical can not be breathed. And you should avoid contacting with skin and eyes.

You can still convert the following datas into molecular structure:
(1) SMILES: N#C/C(=C\c1cc(O)c(O)cc1)C(=O)NCCCc2ccccc2
(2) InChI: InChI=1/C19H18N2O3/c20-13-16(11-15-8-9-17(22)18(23)12-15)19(24)21-10-4-7-14-5-2-1-3-6-14/h1-3,5-6,8-9,11-12,22-23H,4,7,10H2,(H,21,24)/b16-11+
(3) InChIKey: GSQOBTOAOGXIFL-LFIBNONCBA