Cas no 1627136-94-0 (4H-Pyrrolo[2,3-c]pyridin-4-one, 1,5,6,7-tetrahydro-6-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-)

4H-Pyrrolo[2,3-c]pyridin-4-one, 1,5,6,7-tetrahydro-6-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)- structure
1627136-94-0 structure
Product Name:4H-Pyrrolo[2,3-c]pyridin-4-one, 1,5,6,7-tetrahydro-6-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-
CAS No:1627136-94-0
MF:C20H18N2O5S2
MW:430.497322559357
CID:6635559
PubChem ID:101905762
Update Time:2024-01-13

4H-Pyrrolo[2,3-c]pyridin-4-one, 1,5,6,7-tetrahydro-6-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)- Chemical and Physical Properties

Names and Identifiers

    • 4H-Pyrrolo[2,3-c]pyridin-4-one, 1,5,6,7-tetrahydro-6-[(4-methylphenyl)sulfonyl]-1-(phenylsulfonyl)-
    • C92541
    • 1-(Phenylsulfonyl)-6-tosyl-1,5,6,7-tetrahydro-4h-pyrrolo[2,3-c]pyridin-4-one
    • 1627136-94-0
    • Inchi: 1S/C20H18N2O5S2/c1-15-7-9-17(10-8-15)28(24,25)21-13-19-18(20(23)14-21)11-12-22(19)29(26,27)16-5-3-2-4-6-16/h2-12H,13-14H2,1H3
    • InChI Key: MOFUUXKCPKEQGU-UHFFFAOYSA-N
    • SMILES: C1N(S(C2=CC=C(C)C=C2)(=O)=O)CC(=O)C2C=CN(S(C3=CC=CC=C3)(=O)=O)C1=2

Computed Properties

  • Exact Mass: 430.06571403g/mol
  • Monoisotopic Mass: 430.06571403g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 29
  • Rotatable Bond Count: 4
  • Complexity: 816
  • 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: 2.5
  • Topological Polar Surface Area: 110?2
Recommended suppliers
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Jinta Yudi Pharmaceutical Technology Co., Ltd.
Xiamen PinR Bio-tech Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Xiamen PinR Bio-tech Co., Ltd.
Hebei Liye chemical Co.,Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Hebei Liye chemical Co.,Ltd
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Shanghai Hongxiang Biomedical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Shanghai Hongxiang Biomedical Technology Co., Ltd.