CAS No.152121-30-7,Phenol,4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]- Suppliers,MSDS download

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Basic Information

Molecular Structure:
CAS No.:	152121-30-7
Name:	Phenol,4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-
Article Data:	2

Formula:	C₂₀H₁₄FN₃O
Molecular Weight:	331.349
Synonyms:	C₂₀H₁₄FN₃O;4-(4-Fluorophenyl)-2-(4-hydroxyphenyl)-5-(4-pyridyl)-1H-imidazole;
Density:	1.311 g/cm³
Melting Point:	240-243℃
Boiling Point:	565.705 °C at 760 mmHg
Flash Point:	295.928 °C
Solubility:	DMSO: 30 mg/mL
Appearance:	pale yellow
Hazard Symbols:	Xi
Risk Codes:	36/37/38
Safety:	26-36/37
PSA:	61.80000
LogP:	4.65040

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Specification

The IUPAC name of SB 202190 is 4-[4-(4-fluorophenyl)-5-pyridin-4-yl-1,3-dihydroimidazol-2-ylidene]cyclohexa-2,5-dien-1-one. With the CAS registry number 152121-30-7, it is also named as Phenol,4-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-2-yl]-. The product's classification codes are Enzyme Inhibitors; Protein Kinase Inhibitors, and the other registry number is 194615-33-3. In addition, this chemical should be stored at 2-8 °C. And its color is pale yellow. Furthermore, it is potent and cell-permeable inhibitor of p38 MAP kinase. And it is also available as part of the MAPK Inhibitor Tocriset^TM.

The other characteristics of SB 202190 can be summarized as: (1)ACD/LogP: 2.93; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 125; (6)ACD/BCF (pH 7.4): 135; (7)ACD/KOC (pH 5.5): 1068; (8)ACD/KOC (pH 7.4): 1158; (9)H bond acceptors: 4; (10)H bond donors: 2; (11)Freely Rotating Bonds: 4; (12)Polar Surface Area: 61.8 Å²; (13)Index of Refraction: 1.653; (14)Molar Refractivity: 92.52 cm³; (15)Molar Volume: 252.697 cm³; (16)Polarizability: 36.678×10^-24cm³; (17)Surface Tension: 58.008 dyne/cm; (18)Density: 1.311 g/cm³; (19)Flash Point: 295.928 °C; (20)Solubility DMSO: 30 mg/mL; (21)Enthalpy of Vaporization: 88.124 kJ/mol; (22)Boiling Point: 565.705 °C at 760 mmHg; (23)Vapour Pressure: 0 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following: it is irritating to eyes, respiratory system and skin. You should wear suitable protective clothing and gloves when use it. Moreover, in case of contact with eyes, please rinse immediately with plenty of water and seek medical advice.

People can use the following data to convert to the molecule structure.
(1)SMILES:Fc1ccc(cc1)c2nc(nc2c3ccncc3)c4ccc(O)cc4
(2)InChI:InChI=1/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
(3)InChIKey:QHKYPYXTTXKZST-UHFFFAOYAR
(4)Std. InChI:InChI=1S/C20H14FN3O/c21-16-5-1-13(2-6-16)18-19(14-9-11-22-12-10-14)24-20(23-18)15-3-7-17(25)8-4-15/h1-12,25H,(H,23,24)
(5)Std. InChIKey:QHKYPYXTTXKZST-UHFFFAOYSA-N