CAS No.289656-45-7,2,2-bis(4-fluorophenyl)-2-phenyl-acetamide Suppliers

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Basic Information

Molecular Structure:
CAS No.:	289656-45-7
Name:	2,2-bis(4-fluorophenyl)-2-phenyl-acetamide

Formula:	C₂₀H₁₅F₂NO
Molecular Weight:	323.342
Synonyms:	ICA17043;Senicapoc;
Density:	1.25g/cm³
Melting Point:	180-181 °C(Solv: hexane (110-54-3); dichloromethane (75-09-2))
Boiling Point:	460.7 °C at 760 mmHg
Flash Point:	232.4 °C
PSA:	43.09000
LogP:	4.48480

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Specification

The Senicapoc is an organic compound with the formula C₂₀H₁₅F₂NO. The IUPAC name of this chemical is 2,2-bis(4-fluorophenyl)-2-phenylacetamide. With the CAS registry number 289656-45-7, it is also named as 4-Fluoro-α-(4-fluorophenyl)-α-phenylbenzeneacetamide. Besides, it is a gardos channel blocker, which has been proposed for use in sickle cell anemia.

Physical properties about Senicapoc are: (1)ACD/LogP: 3.97; (2)ACD/LogD (pH 5.5): 3.96; (3)ACD/LogD (pH 7.4): 3.96; (4)ACD/BCF (pH 5.5): 606.96; (5)ACD/BCF (pH 7.4): 606.96; (6)ACD/KOC (pH 5.5): 3418.13; (7)ACD/KOC (pH 7.4): 3418.13; (8)#H bond acceptors: 2; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 4; (11)Polar Surface Area: 20.31 Å²; (12)Index of Refraction: 1.594; (13)Molar Refractivity: 87.72 cm³; (14)Molar Volume: 258.5 cm³; (15)Polarizability: 34.77×10^-24cm³; (16)Surface Tension: 45.8 dyne/cm; (17)Density: 1.25 g/cm³; (18)Flash Point: 232.4 °C; (19)Enthalpy of Vaporization: 72.14 kJ/mol; (20)Boiling Point: 460.7 °C at 760 mmHg; (21)Vapour Pressure: 1.14E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Fc1ccc(cc1)C(C(=O)N)(c2ccccc2)c3ccc(F)cc3
(2)InChI: InChI=1/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
(3)InChIKey: SCTZUZTYRMOMKT-UHFFFAOYAR
(4)Std. InChI: InChI=1S/C20H15F2NO/c21-17-10-6-15(7-11-17)20(19(23)24,14-4-2-1-3-5-14)16-8-12-18(22)13-9-16/h1-13H,(H2,23,24)
(5)Std. InChIKey: SCTZUZTYRMOMKT-UHFFFAOYSA-N