CAS No.239466-74-1,trans-R-138727 Suppliers

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Basic Information

Molecular Structure:
CAS No.:	239466-74-1
Name:	trans-R-138727

Formula:	C₁₈H₂₀FNO₃S
Molecular Weight:	349.42
Synonyms:	trans-R-138727;
Density:	1.34 g/cm³
Boiling Point:	513.424 °C at 760 mmHg
Flash Point:	264.31 °C
PSA:	96.41000
LogP:	2.79890

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Specification

The CAS register number of Prasugrel metabolite is 239466-74-1. It also can be called as trans-R-138727 and the systematic name about this chemical is (2Z)-{1-[2-cyclopropyl-1-(2-fluorophenyl)-2-oxoethyl]-4-sulfanylpiperidin-3-ylidene}ethanoic acid. The molecular formula about this chemical is C₁₈H₂₀FNO₃S and molecular weight is 349.42.

Physical properties about Prasugrel metabolite are: (1)ACD/LogP: 2.76; (2)ACD/LogD (pH 5.5): 1; (3)ACD/BCF (pH 5.5): 2; (4)ACD/BCF (pH 7.4): 1; (5)ACD/KOC (pH 5.5): 20; (6)ACD/KOC (pH 7.4): 1; (7)#H bond acceptors: 4; (8)#H bond donors: 1; (9)#Freely Rotating Bonds: 6; (10)Polar Surface Area: 96.41Å²; (11)Index of Refraction: 1.619; (12)Molar Refractivity: 91.468 cm³; (13)Molar Volume: 260.727 cm³; (14)Polarizability: 36.261x10^-24cm³; (15)Surface Tension: 57.278 dyne/cm; (16)Enthalpy of Vaporization: 82.633 kJ/mol; (17)Boiling Point: 513.424 °C at 760 mmHg.

You can still convert the following datas into molecular structure:
(1)SMILES: c1ccc(c(c1)C(C(=O)C2CC2)N3CCC(/C(=C\C(=O)O)/C3)S)F
(2)InChI: InChI=1/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-
(3)InChIKey: ZWUQVNSJSJHFPS-XFXZXTDPBM
(4)Std. InChI: InChI=1S/C18H20FNO3S/c19-14-4-2-1-3-13(14)17(18(23)11-5-6-11)20-8-7-15(24)12(10-20)9-16(21)22/h1-4,9,11,15,17,24H,5-8,10H2,(H,21,22)/b12-9-
(5)Std. InChIKey: ZWUQVNSJSJHFPS-XFXZXTDPSA-N