Benzo[b]thiophene-7-propanoicacid, a-methoxy-4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-,(aS)- (475479-34-6)

The IUPAC name of Aleglitazar is (2S)-2-Methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid. With the CAS registry number 475479-34-6, it is also named as (S)-2-Methoxy-3-[4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]benzo[b]thiophen-7-yl]propionic acid. The product's classification code is Treatment of Type II Diabetes. In addition, its molecular formula is C₂₄H₂₃NO₅S and its molecular weight is 437.51. Besides, this chemical is a peroxisome proliferator-activated receptor agonist (hence a PPAR modulator ) with affinity to PPARα and PPARγ.

The other characteristics of Aleglitazar can be summarized as: (1)ACD/LogP: 3.28; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 175; (6)ACD/BCF (pH 7.4): 5; (7)ACD/KOC (pH 5.5): 389; (8)ACD/KOC (pH 7.4): 11; (9)H bond acceptors: 6; (10)H bond donors: 1; (11)Freely Rotating Bonds: 9; (12)Polar Surface Area: 110.03 Å²; (13)Index of Refraction: 1.627; (14)Molar Refractivity: 120.17 cm³; (15)Molar Volume: 339.013 cm³; (16)Polarizability: 47.639×10^-24cm³; (17)Surface Tension: 53.533 dyne/cm; (18)Density: 1.291 g/cm³; (19)Flash Point: 356.071 °C; (20)Enthalpy of Vaporization: 102.76 kJ/mol; (21)Boiling Point: 665.151 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25 °C.

People can use the following data to convert to the molecule structure.
(1)SMILES:O=C(O)[C@@H](OC)Cc4ccc(OCCc1nc(oc1C)c2ccccc2)c3c4scc3
(2)InChI:InChI=1/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
(3)InChIKey:DAYKLWSKQJBGCS-NRFANRHFBF
(4)Std. InChI:InChI=1S/C24H23NO5S/c1-15-19(25-23(30-15)16-6-4-3-5-7-16)10-12-29-20-9-8-17(14-21(28-2)24(26)27)22-18(20)11-13-31-22/h3-9,11,13,21H,10,12,14H2,1-2H3,(H,26,27)/t21-/m0/s1
(5)Std. InChIKey:DAYKLWSKQJBGCS-NRFANRHFSA-N