Benzenepropanoic acid, alpha-ethoxy-4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)-, (alphaS)- supplier

Name
(S)-2-ETHOXY-3-[4-[2-(4-METHANESULFONYLOXY-PHENYL)-ETHOXY]-PHENYL]-PROPIONIC ACID
EINECS
CAS No. 251565-85-2
Article Data3
CAS DataBase
Density 1.278 g/cm³
Solubility
Melting Point
Formula C₂₀H2₄O₇S
Boiling Point 611.3 °C at 760 mmHg
Molecular Weight 408.472
Flash Point 323.5 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms (S)-2-Ethoxy-3-[4-[2-(4-methanesulfonyloxyphenyl)ethoxy]phenyl]propanoicacid;AR-H 039242;AR-H 039242XX;AZ 242;Galida;Tesaglitazar;
PSA 107.51000
LogP 3.75950

Benzenepropanoic acid, alpha-ethoxy-4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)-, (alphaS)- Specification

This chemical is called Benzenepropanoic acid, alpha-ethoxy-4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)-, (alphaS)-, and its CAS registry number is 251565-85-2. With the molecular formula of C₂₀H2₄O₇S, its molecular weight is . The of this chemical is 408.47. Additionally, its product categories are Drug Intermediates; Chiral Reagents; Intermediates & Fine Chemicals; Pharmaceuticals; Sulfur & Selenium Compounds.

Other characteristics of the Benzenepropanoic acid, alpha-ethoxy-4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)-, (alphaS)- can be summarised as followings: (1)ACD/LogP: 2.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.75 ; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 8.47; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 7; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 11; (11)Polar Surface Area: 96.51 Å²; (12)Index of Refraction: 1.565; (13)Molar Refractivity: 104.16 cm³; (14)Molar Volume: 319.3 cm³; (15)Polarizability: 41.29×10^-24cm³; (16)Surface Tension: 50.2 dyne/cm; (17)Density: 1.278 g/cm³; (18)Flash Point: 323.5 °C; (19)Enthalpy of Vaporization: 95.44 kJ/mol; (20)Boiling Point: 611.3 °C at 760 mmHg; (21)Vapour Pressure: 8.44E-16 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=S(=O)(Oc1ccc(cc1)CCOc2ccc(cc2)C[C@H](OCC)C(=O)O)C
2.InChI: InChI=1/C20H24O7S/c1-3-25-19(20(21)22)14-16-6-8-17(9-7-16)26-13-12-15-4-10-18(11-5-15)27-28(2,23)24/h4-11,19H,3,12-14H2,1-2H3,(H,21,22)/t19-/m0/s1
3.InChIKey: CXGTZJYQWSUFET-IBGZPJMEBQ

Product Name

(S)-2-ETHOXY-3-[4-[2-(4-METHANESULFONYLOXY-PHENYL)-ETHOXY]-PHENYL]-PROPIONIC ACID

Benzenepropanoic acid, alpha-ethoxy-4-(2-(4-((methylsulfonyl)oxy)phenyl)ethoxy)-, (alphaS)- Specification

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