Cas no 136199-02-5 (KW 3902)

KW 3902 structure
KW 3902 structure
Product Name:KW 3902
CAS No:136199-02-5
MF:C20H28N4O2
MW:356.461924552917
CID:173495
PubChem ID:329817141
Update Time:2025-04-19

KW 3902 Chemical and Physical Properties

Names and Identifiers

    • 1H-Purine-2,6-dione,8-(hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,9-dihydro-1,3-dipropyl-
    • 1,3-DIPROPYL-8-(3-NORADAMANTYL)XANTHINE
    • KW 3902
    • Rolofylline
    • 1,3-Dipropyl-8-(tricyclo(3.3.1.0(3,7))non-3-yl)-3,7-dihydro-1H-purine-2,6-dione
    • 1,3-Dnax
    • 3,7-Dihydro-1,3-dipropyl-8-(3-tricyclo(3.3.1.0(3,7))nonyl)-1H-purine-2,6-dione
    • 8-(3-Noradamantyl)-1,3-dipropylxanthine
    • 8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-3,7-dihydro-1,3-dipropyl-1H-purine-2,6-dione
    • 8-(Noradamantan-3-yl)-1,3-dipropylxanthine
    • KW-3902
    • Rolofylline [USAN]
    • MK-7418
    • HMR-4902
    • HY-10965
    • SCHEMBL18029490
    • 8-(Hexahydro-2,5-methanopentalen-3a(1H)-yl)-1,3-dipropyl-3,9-dihydro-1H-purine-2,6-dione
    • L001406
    • BRD-A95683721-001-01-2
    • KW3902
    • CHEMBL52333
    • Q7361410
    • MS-25589
    • DTXSID50929292
    • 1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
    • GTPL5604
    • AKOS024458012
    • A858196
    • E98670
    • BDBM50003019
    • SCHEMBL13448940
    • D08989
    • 136199-02-5
    • AKOS040742571
    • CHEBI:177647
    • Rolofylline (USAN)
    • SCHEMBL720438
    • 8-(Hexahydro-2,5-methano-pentalen-3a-yl)-1,3-dipropyl-3,7-dihydro-purine-2,6-dione
    • CS-0002980
    • DA-64805
    • Inchi: 1S/C20H28N4O2/c1-3-5-23-16-15(17(25)24(6-4-2)19(23)26)21-18(22-16)20-10-12-7-13(11-20)9-14(20)8-12/h12-14H,3-11H2,1-2H3,(H,21,22)
    • InChI Key: PJBFVWGQFLYWCB-UHFFFAOYSA-N
    • SMILES: O=C1C2=C(N(CCC)C(N1CCC)=O)N=C(C13CC4CC(CC1C4)C3)N2

Computed Properties

  • Exact Mass: 356.22144
  • Monoisotopic Mass: 356.221
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 5
  • Complexity: 609
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 2
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 4.9
  • Topological Polar Surface Area: 69.3A^2

Experimental Properties

  • Density: Not available
  • Melting Point: Not available
  • Boiling Point: Not available
  • Flash Point: Not available
  • Refractive Index: 1.605
  • Solubility: DMSO: soluble20mg/mL
  • PSA: 69.3
  • Vapor Pressure: Not available

KW 3902 Pricemore >>

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