Cas no 1597-68-8 (6a-Fluoro-17b-hydroxy-androst-4-en-3-one)
1597-68-8 structure
Product Name:6a-Fluoro-17b-hydroxy-androst-4-en-3-one
CAS No:1597-68-8
MF:C19H27FO2
MW:306.414889574051
CID:117855
PubChem ID:10357822
Update Time:2025-04-18
6a-Fluoro-17b-hydroxy-androst-4-en-3-one Chemical and Physical Properties
Names and Identifiers
-
- 6a-Fluoro-17b-hydroxy-androst-4-en-3-one
- 4-ANDROSTEN-6-ALPHA-FLOURO-17-BETA-OL-3-ONE
- 4-ANDROSTEN-6-α-FLOURO-17-β-OL-3-ONE
- Androst-4-en-3-one,6-fluoro-17-hydroxy-, (6a,17b)- (9CI)
- 6alpha-Fluorotestosterone
- BRD-K82206012-001-01-3
- BDBM50600998
- DTXSID70873369
- CHEMBL1565119
- Spectrum5_002041
- O9R6BZK55Y
- 1597-68-8
- (6S,8R,9S,10R,13S,14S,17S)-6-fluoro-17-hydroxy-10,13-dimethyl-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-one
- U-11207
- 6.ALPHA.-FLUOROTESTOSTERONE
- FLUOROTESTOSTERONE, 6.ALPHA.-
- UNII-O9R6BZK55Y
- SCHEMBL1900100
- Q27285531
- Fluorotestosterone
- Fluorotestosterone, 6alpha-
- DTXCID20820883
-
- Inchi： 1S/C19H27FO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16-17,22H,3-8,10H2,1-2H3/t12-,13-,14-,16-,17-,18+,19-/m0/s1
- InChI Key： GGQPTOITOZXLBE-QXROXWLYSA-N
- SMILES： F[C@@H]1C2=CC(CC[C@]2(C)[C@H]2CC[C@]3(C)[C@H](CC[C@H]3[C@@H]2C1)O)=O
Computed Properties
- Exact Mass: 306.20000
- Monoisotopic Mass: 306.19950826g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 22
- Rotatable Bond Count: 0
- Complexity: 542
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 7
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 3.1
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Solubility: Soluble in DMSO or ethanol or 25mg/ml.
- PSA: 37.30000
- LogP: 3.82720
6a-Fluoro-17b-hydroxy-androst-4-en-3-one Related Literature
-
D. H. R. Barton,L. S. Godinho,R. H. Hesse,M. M. Pechet Chem. Commun. (London) 1968 804
-
D. H. R. Barton,L. J. Danks,A. K. Ganguly,R. H. Hesse,G. Tarzia,M. M. Pechet J. Chem. Soc. D 1969 227
-
3. 969. Modified steroid hormones. Part XXIX. Some 17α-chloroethynyl-17β-hydroxy-derivativesC. Burgess,D. Burn,J. W. Ducker,B. Ellis,P. Feather,A. K. Hiscock,A. P. Leftwick,J. S. Mills,V. Petrow J. Chem. Soc. 1962 4995
-
James R. Hanson Nat. Prod. Rep. 1997 14 373
-
5. The synthesis of 4-hydroxyandrost-4-ene-3,17-dione and other potential aromatase inhibitorsJohn Mann,Barbara Pietrzak J. Chem. Soc. Perkin Trans. 1 1983 2681
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