Cas no 144459-70-1 (Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)-)

Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)- structure
144459-70-1 structure
Product Name:Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)-
CAS No:144459-70-1
MF:C25H34F2O6
MW:468.530675411224
CID:175246
PubChem ID:3055174
Update Time:2025-04-19

Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)- Chemical and Physical Properties

Names and Identifiers

    • Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)-
    • Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,...
    • Rofleponide
    • UNII-R9IQ7GVL3E
    • (1S,2S,4R,6R,8S,9S,11S,12R,13S,19S)-12,19-difluoro-11-hydroxy-8-(2-hydroxyacetyl)-9,13-dimethyl-6-propyl-5,7-dioxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-en-16-one
    • AKOS040753808
    • R9IQ7GVL3E
    • NS00122410
    • SCHEMBL74762
    • 6alpha,9-Difluoro-11beta,16alpha,17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic (R)-16,17-acetal with butyraldehyde
    • DTXSID601318252
    • 144459-70-1
    • CHEMBL3989639
    • Rofleponide [INN]
    • 6 alpha, 9-Difluoro-11 beta, 16 alpha, 17,21-tetrahydroxypregn-4-ene-3,20-dione, cyclic (R)-16,17-acetal with butyraldehyde.
    • Q27288011
    • (2S,6aS,6bR,7S,8aS,8bS,10R,11aR,12aS,12bS)-2,6b-difluoro-7-hydroxy-8b-(2-hydroxyacetyl)-6a,8a-dimethyl-10-propyl-1,2,5,6,6a,6b,7,8,8a,8b,11a,12,12a,12b-tetradecahydro-4H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-4-one
    • Inchi： 1S/C25H34F2O6/c1-4-5-21-32-20-10-14-15-9-17(26)16-8-13(29)6-7-22(16,2)24(15,27)18(30)11-23(14,3)25(20,33-21)19(31)12-28/h8,14-15,17-18,20-21,28,30H,4-7,9-12H2,1-3H3/t14-,15-,17-,18-,20+,21+,22-,23-,24-,25+/m0/s1
    • InChI Key： IXTCZMJQGGONPY-XJAYAHQCSA-N
    • SMILES： F[C@@]12[C@@]3(C)CCC(C=C3[C@H](C[C@H]1[C@@H]1C[C@@H]3[C@](C(CO)=O)([C@@]1(C)C[C@@H]2O)O[C@H](CCC)O3)F)=O

Computed Properties

  • Exact Mass: 468.23200
  • Monoisotopic Mass: 468.23234512g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 33
  • Rotatable Bond Count: 4
  • Complexity: 907
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 10
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 3
  • Topological Polar Surface Area: 93.1?2

Experimental Properties

  • PSA: 93.06000
  • LogP: 2.98090

Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)- Related Literature

144459-70-1 (Pregn-4-ene-3,20-dione,16,17-[(1R)-butylidenebis(oxy)]-6,9-difluoro-11,21-dihydroxy-, (6a,11b,16a)-) Related Products

Recommended suppliers
Wuhan ChemNorm Biotech Co.,Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Wuhan ChemNorm Biotech Co.,Ltd.
Handan Zechi Trading Co., Ltd
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
Amadis Chemical Company Limited
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Amadis Chemical Company Limited
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Reagent
Shenzhen Jianxing Pharmaceutical Technology Co., Ltd.
鉅瀾化工科技(青島)有限公司
Gold Member
Audited Supplier Audited Supplier
CN Supplier
Bulk
鉅瀾化工科技(青島)有限公司