Cas no 4565-45-1 (Androst-4-en-3-one,16-fluoro-17-hydroxy-, (16a,17a)- (9CI))
4565-45-1 structure
Product Name:Androst-4-en-3-one,16-fluoro-17-hydroxy-, (16a,17a)- (9CI)
CAS No:4565-45-1
MF:C19H27FO2
MW:306.414889574051
CID:333155
PubChem ID:246204
Update Time:2025-04-19
Androst-4-en-3-one,16-fluoro-17-hydroxy-, (16a,17a)- (9CI) Chemical and Physical Properties
Names and Identifiers
-
- Androst-4-en-3-one,16-fluoro-17-hydroxy-, (16a,17a)- (9CI)
- 16Alpha-Fluor-17Alpha-hydroxy-4-androsten-3-on
- AC1L1IVF
- CTK8H5145
- LS-64813
- SC 9263
- NSC58848
- CHEBI:79594
- 16alpha-Fluoro-17alpha-hydroxyandrost-4-en-3-one
- NSC-58848
- 4565-45-1
- Q27148714
-
- Inchi： 1S/C19H27FO2/c1-18-7-5-12(21)9-11(18)3-4-13-14(18)6-8-19(2)15(13)10-16(20)17(19)22/h9,13-17,22H,3-8,10H2,1-2H3/t13-,14+,15+,16-,17-,18+,19+/m1/s1
- InChI Key： WTVJTKJVHNWXNR-IAMXYGRLSA-N
- SMILES： F[C@@H]1C[C@H]2[C@@H]3CCC4=CC(CC[C@]4(C)[C@H]3CC[C@]2(C)[C@@H]1O)=O
Computed Properties
- Exact Mass: 306.20000
- Monoisotopic Mass: 306.2
- 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: 3.4
- Topological Polar Surface Area: 37.3?2
Experimental Properties
- Density: 1.16
- Boiling Point: 440.1°C at 760 mmHg
- Flash Point: 220°C
- Refractive Index: 1.546
- PSA: 37.30000
- LogP: 3.82720
Androst-4-en-3-one,16-fluoro-17-hydroxy-, (16a,17a)- (9CI) Related Literature
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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3. An integrated chip for immunofluorescence and its application to analyze lysosomal storage disordersJie Shen,Ying Zhou,Tu Lu,Junya Peng,Zhixiang Lin,Yuhong Pang,Li Yu Lab Chip, 2012,12, 317-324
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Chengbin Yang,Hing Lun Tsang,Pui Man Lau,Ken-Tye Yong,Ho Pui Ho,Siu Kai Kong Analyst, 2017,142, 3579-3587
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James D. Kirkham,Patrick M. Delaney,George J. Ellames,Eleanor C. Row,Joseph P. A. Harrity Chem. Commun., 2010,46, 5154-5156
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