Product Name

  • Name

    2-Bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionic acid methyl ester

  • EINECS 1312995-182-4
  • CAS No. 105355-25-7
  • Article Data4
  • CAS DataBase
  • Density 1.31 g/cm3
  • Solubility
  • Melting Point
  • Formula C19H22BrNO3
  • Boiling Point 484.971 °C at 760 mmHg
  • Molecular Weight 392.293
  • Flash Point 247.102 °C
  • Transport Information
  • Appearance
  • Safety
  • Risk Codes
  • Molecular Structure Molecular Structure of 105355-25-7 (2-Bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionic acid methyl ester)
  • Hazard Symbols
  • Synonyms 2-Bromo-3-[4-(2-(5-ethyl-2-pyridyl)ethoxy)phenyl]propionicacid methyl ester;Methyl2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate;
  • PSA 48.42000
  • LogP 3.74450

Methyl 2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate Specification

The Methyl 2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate is an organic compound with the formula C19H22BrNO3. The systematic name of this chemical is methyl 2-bromo-3-{4-[2-(5-ethylpyridin-2-yl)ethoxy]phenyl}propanoate. With the CAS registry number 105355-25-7, it is also named as benzenepropanoic acid, α-bromo-4-[2-(5-ethyl-2-pyridinyl)ethoxy]-, methyl ester. It is used as pharmaceutical intermediate.

The other characteristics of Methyl 2-bromo-3-[4-[2-(5-ethyl-2-pyridyl)ethoxy]phenyl]propionate can be summarized as: (1)ACD/LogP: 4.23; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4; (4)ACD/LogD (pH 7.4): 4; (5)ACD/BCF (pH 5.5): 342; (6)ACD/BCF (pH 7.4): 693; (7)ACD/KOC (pH 5.5): 1845; (8)ACD/KOC (pH 7.4): 3744; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Index of Refraction: 1.568; (13)Molar Refractivity: 97.973 cm3; (14)Molar Volume: 299.556 cm3; (15)Polarizability: 38.839×10-24 cm3; (16)Surface Tension: 45.274 dyne/cm; (17)Density: 1.31 g/cm3; (18)Flash Point: 247.102 °C; (19)Enthalpy of Vaporization: 75.038 kJ/mol; (20)Boiling Point: 484.971 °C at 760 mmHg; (21)Vapour Pressure: 0 mmHg at 25°C.

People can use the following data to convert to the molecule structure.
1. SMILES:BrC(C(=O)OC)Cc2ccc(OCCc1ncc(cc1)CC)cc2
2. InChI:InChI=1/C19H22BrNO3/c1-3-14-4-7-16(21-13-14)10-11-24-17-8-5-15(6-9-17)12-18(20)19(22)23-2/h4-9,13,18H,3,10-12H2,1-2H3 
3. InChIKey:CJQRUDWOZDEKKO-UHFFFAOYAG
4. Std. InChI:InChI=1S/C19H22BrNO3/c1-3-14-4-7-16(21-13-14)10-11-24-17-8-5-15(6-9-17)12-18(20)19(22)23-2/h4-9,13,18H,3,10-12H2,1-2H3 
5. Std. InChIKey:CJQRUDWOZDEKKO-UHFFFAOYSA-N

Related Products

Hot Products

Post buying leads

About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia

Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog

©2008 LookChem.com,License: ICP

NO.:Zhejiang16009103

complaints:service@lookchem.com Desktop View