Cas no 3722-56-3 ((S)-4',7-Dimethyl Equol)

(S)-4',7-Dimethyl Equol structure
(S)-4',7-Dimethyl Equol structure
Product Name:(S)-4',7-Dimethyl Equol
CAS No:3722-56-3
MF:C17H18O3
MW:270.323025226593
CID:296379
PubChem ID:40428139
Update Time:2025-04-19

(S)-4',7-Dimethyl Equol Chemical and Physical Properties

Names and Identifiers

    • 2H-1-Benzopyran,3,4-dihydro-7-methoxy-3-(4-methoxyphenyl)-, (3S)-
    • (S)-4′,7-Dimethyl Equol
    • (S)-4',7-DiMethyl Equol
    • (S)-4?,7-Dimethyl Equol
    • 4',7-Dimethoxyisoflavan
    • 3722-56-3
    • (S)-7-Methoxy-3-(4-methoxyphenyl)chromane
    • AKOS030241282
    • (3S)-7-methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-chromene
    • (3S)-7-Methoxy-3-(4-methoxyphenyl)-3,4-dihydro-2H-1-benzopyran
    • DTXSID20654286
    • DB-223007
    • (3S)-3,4-Dihydro-7-methoxy-3-(4-methoxyphenyl)-2H-1-benzopyran
    • (S)-4',7-Dimethyl Equol
    • Inchi: 1S/C17H18O3/c1-18-15-6-3-12(4-7-15)14-9-13-5-8-16(19-2)10-17(13)20-11-14/h3-8,10,14H,9,11H2,1-2H3/t14-/m1/s1
    • InChI Key: GQMFGWWADOSNMX-CQSZACIVSA-N
    • SMILES: O1C2C=C(C=CC=2C[C@@H](C2C=CC(=CC=2)OC)C1)OC

Computed Properties

  • Exact Mass: 270.12600
  • Monoisotopic Mass: 270.125594432g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 20
  • Rotatable Bond Count: 3
  • Complexity: 299
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 1
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3.6
  • Topological Polar Surface Area: 27.7?2

Experimental Properties

  • Density: 1.129
  • Melting Point: 90-91°C
  • Boiling Point: 395.52°C at 760 mmHg
  • Flash Point: 134.2°C
  • Refractive Index: 1.563
  • PSA: 27.69000
  • LogP: 3.42250

(S)-4',7-Dimethyl Equol Customs Data

  • HS CODE:2932999099
  • Customs Data:

    China Customs Code:

    2932999099

    Overview:

    2932999099. Other heterocyclic compounds containing only oxygen heteroatoms. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2932999099. other heterocyclic compounds with oxygen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

(S)-4',7-Dimethyl Equol Pricemore >>

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(S)-4',7-Dimethyl Equol Production Method

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