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CAS 1000413-72-8

:

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

Description:
The chemical substance with the name "[(3S)-6-({2',6'-Dimethyl-4'-[3-(methylsulfonyl)propoxy]-3-biphenylyl}methoxy)-2,3-dihydro-1-benzofuran-3-yl]acetic acid" and CAS number "1000413-72-8" is a complex organic compound characterized by its multi-functional structure, which includes a benzofuran moiety, a biphenyl group, and a methylsulfonyl substituent. This compound is likely to exhibit specific stereochemistry due to the presence of chiral centers, influencing its biological activity and interactions. The presence of the acetic acid functional group suggests potential acidic properties, which may affect its solubility and reactivity in various environments. Additionally, the dimethyl and methoxy groups contribute to its lipophilicity, potentially enhancing its permeability through biological membranes. Such compounds are often investigated for their pharmacological properties, including anti-inflammatory or analgesic effects, making them of interest in medicinal chemistry. Overall, the structural complexity and functional groups present in this compound suggest a diverse range of potential applications in pharmaceutical research and development.
Formula:C29H32O7S
InChI:InChI=1S/C29H32O7S/c1-19-12-25(34-10-5-11-37(3,32)33)13-20(2)29(19)22-7-4-6-21(14-22)17-35-24-8-9-26-23(15-28(30)31)18-36-27(26)16-24/h4,6-9,12-14,16,23H,5,10-11,15,17-18H2,1-3H3,(H,30,31)/t23-/m1/s1
InChI key:BZCALJIHZVNMGJ-HSZRJFAPSA-N
SMILES:CC1=CC(=CC(=C1C2=CC=CC(=C2)COC3=CC4=C(C=C3)[C@@H](CO4)CC(=O)O)C)OCCCS(=O)(=O)C
Synonyms:
  • Tak875
  • 3-Benzofuranacetic acid, 6-[[2',6'-dimethyl-4'-[3-(methylsulfonyl)propoxy][1,1'-biphenyl]-3-yl]methoxy]-2,3-dihydro-, (3S)-
  • Tak-875
Found 10 products.