Cas no 253688-60-7 (Hydroxy Bosentan)

Hydroxy Bosentan structure
Hydroxy Bosentan structure
Product Name:Hydroxy Bosentan
CAS No:253688-60-7
MF:C27H29N5O7S
MW:567.613465070724
CID:246702
PubChem ID:6426755
Update Time:2025-04-19

Hydroxy Bosentan Chemical and Physical Properties

Names and Identifiers

    • Hydroxy Bosentan
    • Bosentan Hydroxy
    • Bosentan Hydroxy-d4
    • N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]-4-(1-hydroxy-2-methylpropan-2-yl)benzenesulfonamide
    • 4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]-benzenesulfonamide
    • Benzenesulfonamide,4-(2-hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2'-bipyrimidin]-4-yl]
    • Ro 48-5033
    • Ro 48-8634
    • Bosentan metabolite Ro 48-5033
    • HY-121385
    • CS-0081840
    • Hydroxybosentan pound>>Ro 48-5033 pound>>Ro 48-8634 pound>>Bosentan metabolite Ro 48-5033
    • J-015960
    • AKOS030239680
    • Benzenesulfonamide, 4-(2-hydroxy-1,1-dimethylethyl)-N-(6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)(2,2'-bipyrimidin)-4-yl)-
    • 4-(2-Hydroxy-1,1-dimethylethyl)-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)[2,2?-bipyrimidin]-4-yl]-benzenesulfonamide
    • FT-0669431
    • UNII-VZ7YNJ87XH
    • NS00116368
    • FT-0669432
    • CHEMBL3901721
    • 253688-60-7
    • N-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidin-6-yl]4-(2-hydroxy-1,1-dimethylethyl)benzenesulphonamide
    • FAJQMBCLPZWTQJ-UHFFFAOYSA-N
    • VZ7YNJ87XH
    • FT-0669430
    • N-[4-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)pyrimidin-6-yl]-4-(2-hydroxy-1,1-dimethylethyl)benzenesulphonamide
    • SCHEMBL7205072
    • Hydroxybosentan
    • 4-(2-HYDROXY-1,1-DIMETHYLETHYL)-N-(6-(2-HYDROXYETHOXY)-5-(2-METHOXYPHENOXY)(2,2'-BIPYRIMIDIN)-4-YL)BENZENESULFONAMIDE
    • BCP15832
    • Inchi: 1S/C27H29N5O7S/c1-27(2,17-34)18-9-11-19(12-10-18)40(35,36)32-23-22(39-21-8-5-4-7-20(21)37-3)26(38-16-15-33)31-25(30-23)24-28-13-6-14-29-24/h4-14,33-34H,15-17H2,1-3H3,(H,30,31,32)
    • InChI Key: FAJQMBCLPZWTQJ-UHFFFAOYSA-N
    • SMILES: S(C1C=CC(=CC=1)C(C)(C)CO)(NC1C(=C(N=C(C2N=CC=CN=2)N=1)OCCO)OC1C=CC=CC=1OC)(=O)=O

Computed Properties

  • Exact Mass: 567.17900
  • Monoisotopic Mass: 567.17876945g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 12
  • Heavy Atom Count: 40
  • Rotatable Bond Count: 12
  • Complexity: 862
  • 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: 2.6
  • Topological Polar Surface Area: 174?2

Experimental Properties

  • Density: 1.372
  • Melting Point: 128-132°C
  • Boiling Point: 783.9°C at 760 mmHg
  • Flash Point: 427.9°C
  • Refractive Index: 1.619
  • PSA: 174.26000
  • LogP: 4.33010

Hydroxy Bosentan Security Information

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