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Search term: BZCALJIHZVNMGJ-QHCPKHFHSA-N (Found by InChIKey (full match))
ChemSpider 2D Image | [(3R)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid | C29H32O7S

[(3R)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid

  • Molecular FormulaC29H32O7S
  • Average mass524.625 Da
  • Monoisotopic mass524.186890 Da
  • ChemSpider ID28662470

  • defined stereocentres - 1 of 1 defined stereocentres

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

[(3R)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid [ACD/IUPAC Name]
[(3R)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]essigsäure [German] [ACD/IUPAC Name]
3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3R)- [ACD/Index Name]
Acide [(3R)-6-({2',6'-diméthyl-4'-[3-(méthylsulfonyl)propoxy]-3-biphénylyl}méthoxy)-2,3-dihydro-1-benzofuran-3-yl]acétique [French] [ACD/IUPAC Name]
(R)-(-)-TAK-875
(R)-2-(6-((2',6'-dimethyl-4'-(3-(methylsulfonyl)propoxy)-[1,1'-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
(r)-2-(6-((2`,6`-dimethyl-4`-(3-(methylsulfonyl)propoxy)-[1,1`-biphenyl]-3-yl)methoxy)-2,3-dihydrobenzofuran-3-yl)acetic acid
1234474-57-7 [RN]
2-[(3R)-6-[[3-[2,6-dimethyl-4-(3-methylsulfonylpropoxy)phenyl]phenyl]methoxy]-2,3-dihydro-1-benzofuran-3-yl]acetic acid
3-Benzofuranacetic acid, 6-[[2,6-dimethyl-4-[3-(methylsulfonyl)propoxy][1,1-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3R)-
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    Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

    Density: 1.3±0.1 g/cm3
    Boiling Point: 739.1±60.0 °C at 760 mmHg
    Vapour Pressure: 0.0±2.6 mmHg at 25°C
    Enthalpy of Vaporization: 113.1±3.0 kJ/mol
    Flash Point: 400.8±32.9 °C
    Index of Refraction: 1.587
    Molar Refractivity: 140.7±0.4 cm3
    #H bond acceptors: 7
    #H bond donors: 1
    #Freely Rotating Bonds: 11
    #Rule of 5 Violations: 1
    ACD/LogP: 4.36
    ACD/LogD (pH 5.5): 3.14
    ACD/BCF (pH 5.5): 74.80
    ACD/KOC (pH 5.5): 355.70
    ACD/LogD (pH 7.4): 1.34
    ACD/BCF (pH 7.4): 1.20
    ACD/KOC (pH 7.4): 5.72
    Polar Surface Area: 108 Å2
    Polarizability: 55.8±0.5 10-24cm3
    Surface Tension: 51.2±3.0 dyne/cm
    Molar Volume: 418.9±3.0 cm3

    Click to predict properties on the Chemicalize site


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