CAS No.475479-34-6,Aleglitazar Suppliers

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Basic Information

Molecular Structure:
CAS No.:	475479-34-6
Name:	Aleglitazar
Article Data:	6

Formula:	C₂₄H₂₃NO₅S
Molecular Weight:	437.516
Synonyms:	(S)-2-Methoxy-3-[4-[2-(5-methyl-2-phenyloxazol-4-yl)ethoxy]benzo[b]thiophen-7-yl]propionicacid;R 1439;RO 0728804;Benzo[b]thiophene-7-propanoicacid, a-methoxy-4-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-,(aS)-;
Density:	1.291 g/cm³
Melting Point:	146-147 °C
Boiling Point:	665.151 °C at 760 mmHg
Flash Point:	356.071 °C
PSA:	110.03000
LogP:	5.12830

Raw Materials

849150-55-6

Total:48 Page 1 of 2 1 2 Next>>

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Specification

1. Introduction of Aleglitazar
Aleglitazar is (2S)-2-Methoxy-3-[4-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-1-benzothiophen-7-yl]propanoic acid. The product's classification code is Treatment of Type II Diabetes. It should be stored at sealed storage in shady and cool warehouse. The other characteristics of Aleglitazar can be summarized as: People can use the following data to convert to the molecule structure.

2. Properties of Aleglitaza
Physical properties about Aleglitaza are:
(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.

3. Structure Descriptors of Aleglitaza
(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

4. Uses of Aleglitaza
Aleglitazar is a peroxisome proliferator-activated receptor agonist (hence a PPAR modulator ) with affinity to PPARαand PPARγ, which is being developed by Hoffmann–La Roche for the treatment of type II diabetes. Besides, it is currently in phase iii clinical trials.