Cas no 130008-79-6 (rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol)

Rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol is a chiral phenolic compound featuring a benzodioxole moiety and a methoxyphenol group. Its stereospecific (2R,3R) configuration ensures precise molecular interactions, making it valuable in synthetic chemistry and pharmaceutical research. The compound's structural complexity allows for potential applications in designing bioactive molecules, particularly due to its phenolic antioxidant properties and the presence of the benzodioxole ring, which may enhance metabolic stability. Its well-defined stereochemistry also supports its use in enantioselective synthesis. This compound is suited for advanced research in medicinal chemistry, where controlled stereochemistry and functional group compatibility are critical.
rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol structure
130008-79-6 structure
Product Name:rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol
CAS No:130008-79-6
MF:C20H24O4
MW:328.402166366577
CID:1065357
PubChem ID:13844305
Update Time:2025-05-28

rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol Chemical and Physical Properties

Names and Identifiers

    • rel-4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
    • BEGACESTAT
    • 130008-79-6
    • 4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
    • CHEMBL4206271
    • DB-298960
    • rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol
    • Inchi： 1S/C20H24O4/c1-13(8-15-4-6-17(21)19(10-15)22-3)14(2)9-16-5-7-18-20(11-16)24-12-23-18/h4-7,10-11,13-14,21H,8-9,12H2,1-3H3/t13-,14-/m1/s1
    • InChI Key： QDDILOVMGWUNGD-ZIAGYGMSSA-N
    • SMILES： O1COC2=CC=C(C=C12)C[C@@H](C)[C@H](C)CC1C=CC(=C(C=1)OC)O

Computed Properties

  • Exact Mass: 328.16745924g/mol
  • Monoisotopic Mass: 328.16745924g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 24
  • Rotatable Bond Count: 6
  • Complexity: 388
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 2
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 5.2
  • Topological Polar Surface Area: 47.9?2

rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
TRC
B203430-5mg
rel-4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
 130008-79-6
5mg
 $ 253.00 2023-04-19
TRC
B203430-50mg
rel-4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol
 130008-79-6
50mg
 $ 1918.00 2023-04-19
SHENG KE LU SI SHENG WU JI SHU
sc-503362-5mg
rel-4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol,
 130008-79-6
5mg
 ￥3234.00 2023-09-05
SHENG KE LU SI SHENG WU JI SHU
sc-503362-5 mg
rel-4-[(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl]-2-methoxyphenol,
 130008-79-6
5mg
 ￥3,234.00 2023-07-10

rel-4-(2R,3R)-4-(1,3-Benzodioxol-5-yl)-2,3-dimethylbutyl-2-methoxyphenol Related Literature

Related Categories

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