Cas no 74857-22-0 (Bisdionin C)

Bisdionin C structure
Bisdionin C structure
Product Name:Bisdionin C
CAS No:74857-22-0
MF:C17H20N8O4
MW:400.39190196991
CID:540408
Update Time:2024-10-27

Bisdionin C Chemical and Physical Properties

Names and Identifiers

    • 1,1′-Trimethylenedi-theobromine
    • Bisdionin C
    • 1,1'-Propane-1,3-Diylbis(3,7-Dimethyl-3,7-Dihydro-1h-Purine-2,6-Dione)
    • 2ybt
    • BDBM81508
    • AOB5619
    • 1,1'-Trimethylenebis(3,7-dimethylxanthine)
    • Q27459756
    • DW0
    • Inchi: 1S/C17H20N8O4/c1-20-8-18-12-10(20)14(26)24(16(28)22(12)3)6-5-7-25-15(27)11-13(19-9-21(11)2)23(4)17(25)29/h8-9H,5-7H2,1-4H3
    • InChI Key: KEPIKAFUZRKZMT-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(N=CN2C)N(C)C(N1CCCN1C(N(C)C2=C(C1=O)N(C)C=N2)=O)=O

Computed Properties

  • Exact Mass: 400.160751g/mol
  • Monoisotopic Mass: 400.160751g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 687
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: -0.4
  • Topological Polar Surface Area: 117
  • Molecular Weight: 400.4g/mol

Experimental Properties

  • Solubility: DMSO: soluble1mg/mL, clear (warmed)

Bisdionin C Security Information

  • Hazardous Material transportation number:NONH for all modes of transport
  • WGK Germany:3
  • Storage Condition:2-8°C

Bisdionin C Pricemore >>

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