Basic information
- CAS
17976-32-8- Standard SMILES
COC1=CCC2=C(CCC3C2CCC2(C)C(=O)CCC32)C1- InChIKey
NSUVCVKCWGOYPV-UHFFFAOYSA-N- Molecular formula
- C19H26O2
- Average molar mass
- 286.4 g/mol
- Monoisotopic mass
- 286.19328007
Names & identifiers
- Preferred name
- 3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
- IUPAC
- 3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
- English name
- 2,5(10)-Estradien-3-ol-17-one 3-methyl ether
- Molecular formula
- C19H26O2
- Molecular weight
- 286.41
Names & synonyms
SCHEMBL19847802Einecs 241-893-93-METHOXYESTRA-2,5(10)-DIEN-17-ONEEstra-2,5(10)-dien-17-one, 3-methoxy-2,5(10)-Estradien-3-ol-17-one 3-methyl ether(8R,9S,13S,14S)-3-methoxy-13-methyl-4,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
Database identifiers
- CAS
17976-32-8- PubChem CID
- 86642
- DTXSID
DTXSID90939254
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 542
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 131 · 131-133 °C(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
- Boiling point
- 435.7 · 435.7±45.0 °C(Predicted)
- Density
- 1.11 · 1.11±0.1 g/cm3(Predicted)
- vapor pressure
- 0.001 Pa · 0.001Pa at 25℃
- Water Solubility
- 3 mg/L · 3mg/L at 25℃
- LogP
- 5.35 at · 5.35 at 25℃
- REACH Registrations
- Active
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- REACH Registrations
- Active
Chemistry & industry
Applications
Uses3-Methoxyestra-2,5(10)-dien-17-one is structurally related to 3-O-Methyl Estrone (M304710); an estrogenic hormone.
Suppliers5 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
河南天孚化工有限公司+86-0371-55170693 +86-19937530512 · [email protected]
XIAMEN AMITY INDUSTRY AND TRADE CO., LTD.+8618950047208 · [email protected]
Related reactions
1 records
Compound notes
Loading…