CAS No.133550-35-3,TYRPHOSTIN B48 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	133550-35-3
Name:	TYRPHOSTIN B48
Article Data:	2

Formula:	C₁₆H₁₂N₂O₃
Molecular Weight:	280.283
Synonyms:	N-Phenyl-3,4-dihydroxybenzylidenecyanoacetamide;
Density:	1.416 g/cm³
Melting Point:	249 °C(dec.)
Boiling Point:	586.9 °C at 760 mmHg
Flash Point:	308.8 °C
Safety:	22-24/25
PSA:	93.35000
LogP:	2.71648

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Specification

The 2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-, (2E)-, with the CAS registry number of 133550-35-3, is also known as N-Phenyl-3,4-dihydroxybenzylidenecyanoacetamide. It belongs to the product categories of Protein Kinase; Intracellular Signaling. Its molecular formula is C₁₆H₁₂N₂O₃ and molecular weight is 280.28. What's more, its systematic name is (2E)-2-Cyano-3-(3,4-dihydroxyphenyl)-N-phenylprop-2-enamide.

Physical properties about the 2-Propenamide,2-cyano-3-(3,4-dihydroxyphenyl)-N-phenyl-, (2E)- are: (1)ACD/LogP: 2.40; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.4; (4)ACD/LogD (pH 7.4): 2.37; (5)ACD/BCF (pH 5.5): 38.98; (6)ACD/BCF (pH 7.4): 36.63; (7)ACD/KOC (pH 5.5): 478.88; (8)ACD/KOC (pH 7.4): 450.02; (9)#H bond acceptors: 5; (10)#H bond donors: 3; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 62.56 Å²; (13)Index of Refraction: 1.736; (14)Molar Refractivity: 79.5 cm³; (15)Molar Volume: 197.9 cm³; (16)Surface Tension: 75.6 dyne/cm; (17)Density: 1.416 g/cm³; (18)Flash Point: 308.8 °C; (19)Enthalpy of Vaporization: 90.89 kJ/mol; (20)Boiling Point: 586.9 °C at 760 mmHg; (21)Vapour Pressure: 2.26E-14 mmHg at 25 °C.

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)Nc2ccccc2
(2) InChI: InChI=1/C16H12N2O3/c17-10-12(8-11-6-7-14(19)15(20)9-11)16(21)18-13-4-2-1-3-5-13/h1-9,19-20H,(H,18,21)/b12-8+
(3) InChIKey: HKHOVJYOELRGMV-XYOKQWHBBA