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212188-60-8

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Basic Information
CAS No.: 212188-60-8
Name: (R)-3-(2-(hydroxymethyl)-2,3-dihydro-1H-inden-4-yloxy)phenyl 4,4,4-trifluorobutane-1-sulfonate
Molecular Structure:
Molecular Structure of 212188-60-8 ((R)-3-(2-(hydroxymethyl)-2,3-dihydro-1H-inden-4-yloxy)phenyl 4,4,4-trifluorobutane-1-sulfonate)
Formula: C20H21F3O5S
Molecular Weight: 430.4379
Synonyms: BAY38-7271;
Density: 1.351 g/cm3
Boiling Point: 527.206 °C at 760 mmHg
Flash Point: 272.645 °C
PSA: 81.21000
LogP: 5.31790
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Specification

BAY 38-7271(KN 38-7271) is a drug. The CAS registry number of BAY 38-7271 is 212188-60-8. It belongs to the product category of Pharmaceutical Intermediate. This chemical's molecular formula is C20H21F3O5S and molecular weight is 430.4379496. Its systematic name is called 3-{[(2R)-2-(hydroxymethyl)-2,3-dihydro-1H-inden-4-yl]oxy}phenyl 4,4,4-trifluorobutane-1-sulfonate. It has analgesic and neuroprotective effects and is used in scientific research, with proposed uses in the treatment of traumatic brain injury.

Physical properties of BAY 38-7271: (1)ACD/LogP: 4.922; (2)ACD/LogD (pH 5.5): 4.92; (3)ACD/LogD (pH 7.4): 4.92; (4)ACD/BCF (pH 5.5): 3239.72; (5)ACD/BCF (pH 7.4): 3239.72; (6)ACD/KOC (pH 5.5): 11334.85; (7)ACD/KOC (pH 7.4): 11334.85; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Index of Refraction: 1.544; (12)Molar Refractivity: 100.629 cm3; (13)Molar Volume: 318.628 cm3; (14)Polarizability: 39.892 10-24cm3; (15)Surface Tension: 45.7120018005371 dyne/cm; (16)Density: 1.351 g/cm3; (17)Flash Point: 272.645 °C; (18)Enthalpy of Vaporization: 84.396 kJ/mol; (19)Boiling Point: 527.206 °C at 760 mmHg

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(F)CCCS(=O)(=O)Oc3cccc(Oc1cccc2c1C[C@@H](C2)CO)c3
(2)InChI: InChI=1/C20H21F3O5S/c21-20(22,23)8-3-9-29(25,26)28-17-6-2-5-16(12-17)27-19-7-1-4-15-10-14(13-24)11-18(15)19/h1-2,4-7,12,14,24H,3,8-11,13H2/t14-/m1/s1
(3)InChIKey: XJURALZPEJKKOV-CQSZACIVBW