Basic information
- CAS
1649-27-0- Standard SMILES
CC12CCC3C(CC=C4CC(O)CCC43C)C1CC(F)C2=O- InChIKey
INJOBISTKPLYSO-UHFFFAOYSA-N- Molecular formula
- C19H27FO2
- Average molar mass
- 306.4 g/mol
- Monoisotopic mass
- 306.19950826
Names & identifiers
- Preferred name
- 16-Fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- IUPAC
- 16-fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
- English name
- 5-ANDROSTEN-3BETA-OL-16ALPHA-FLUORO-17-ONE
- Molecular formula
- C19H27FO2
- Molecular weight
- 306.42
Names & synonyms
5-ANDROSTEN-3BETA-OL-16ALPHA-FLUORO-17-ONE1649-27-016-fluoro-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one16-fluoro-3-hydroxyandrost-5-en-17-oneNSC67073SCHEMBL5905648DTXSID70937011NSC-67073Androst-5-en-17-one, 16-fluoro-3-hydroxy-, (3β,16α)-(3S,8R,9S,10R,13S,14S,16R)-16-Fluoro-3-hydroxy-10,13-dimethyl-3,4,7,8,9,10,11,12,13,14,15,16-dodecahydro-1H-cyclopenta[a]phenanthren-17(2H)-one
Database identifiers
- CAS
1649-27-0- PubChem CID
- 249103
- DTXSID
DTXSID70937011
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 542
Physicochemical properties
- Melting point
- 182 · 182-183 °C
- Boiling point
- 425.6 · 425.6±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- pka
- 14.97 · 14.97±0.70(Predicted)
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Suppliers2 total
Alchem Pharmtech,Inc.8485655694 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…