Cas no 41078-01-7 (3-ethyl-3,7-dihydro-1H-purine-2,6-dione)

3-ethyl-3,7-dihydro-1H-purine-2,6-dione structure
41078-01-7 structure
Product Name:3-ethyl-3,7-dihydro-1H-purine-2,6-dione
CAS No:41078-01-7
MF:C7H8N4O2
MW:180.16402053833
CID:926550
PubChem ID:350737
Update Time:2025-09-23

3-ethyl-3,7-dihydro-1H-purine-2,6-dione Chemical and Physical Properties

Names and Identifiers

    • 3-ethyl-3,7-dihydro-1H-purine-2,6-dione
    • 3-ethyl-7H-purine-2,6-dione
    • 3-Aethyl-3,7-dihydro-purin-2,6-dion
    • 3-ethyl-3,7-dihydro-purine-2,6-dione
    • 3-Ethylxanthine
    • AC1L6WVB
    • CHEBI:315329
    • CHEMBL131181
    • CTK8I6477
    • NSC515505
    • SureCN7466316
    • DTXSID80325667
    • SCHEMBL7466316
    • BDBM50001502
    • G55024
    • Z1238571221
    • 3-Ethyl-1H-purine-2,6(3H,7H)-dione
    • AKOS023092889
    • 3-ethylxanthin
    • 41078-01-7
    • 3-ethyl-1,7-dihydropurine-2,6-dione
    • NSC-515505
    • EN300-724815
    • OTUCSVCIIQRSNG-UHFFFAOYSA-N
    • 3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
    • Inchi： 1S/C7H8N4O2/c1-2-11-5-4(8-3-9-5)6(12)10-7(11)13/h3H,2H2,1H3,(H,8,9)(H,10,12,13)
    • InChI Key： OTUCSVCIIQRSNG-UHFFFAOYSA-N
    • SMILES： O=C1NC(C2=C(N=CN2)N1CC)=O

Computed Properties

  • Exact Mass: 180.06484
  • Monoisotopic Mass: 180.06472551g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 255
  • 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: -0.1
  • Topological Polar Surface Area: 78.1?2

Experimental Properties

  • PSA: 78.09

3-ethyl-3,7-dihydro-1H-purine-2,6-dione Pricemore >>

Related Categories No. Product Name Cas No. Purity Specification Price update time Inquiry
Enamine
EN300-724815-0.05g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
0.05g
 $113.0 2025-03-21
Enamine
EN300-724815-0.1g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
0.1g
 $169.0 2025-03-21
Enamine
EN300-724815-0.25g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
0.25g
 $240.0 2025-03-21
Enamine
EN300-724815-0.5g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
0.5g
 $379.0 2025-03-21
Enamine
EN300-724815-1.0g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
1.0g
 $486.0 2025-03-21
Enamine
EN300-724815-2.5g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
2.5g
 $953.0 2025-03-21
Enamine
EN300-724815-5.0g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
5.0g
 $1408.0 2025-03-21
Enamine
EN300-724815-10.0g
3-ethyl-2,3,6,7-tetrahydro-1H-purine-2,6-dione
 41078-01-7 95.0%
10.0g
 $2089.0 2025-03-21
1PlusChem
1P00CUTK-50mg
3-Ethyl-3,7-dihydro-1H-purine-2,6-dione
 41078-01-7 95%
50mg
 $196.00 2024-05-02
1PlusChem
1P00CUTK-100mg
3-Ethyl-3,7-dihydro-1H-purine-2,6-dione
 41078-01-7 95%
100mg
 $263.00 2024-05-02

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