Basic information
- CAS
3758-34-7- Standard SMILES
CCC(=O)O[C@H]1CC[C@H]2[C@@H]3CCc4cc(O)ccc4[C@H]3CC[C@]12C- InChIKey
PQCRZWCSVWBYSC-AGRFSFNASA-N- Molecular formula
- C21H28O3
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.20384475
Names & identifiers
- Preferred name
- Estradiol, 17-propionate
- IUPAC
- [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoate
- English name
- beta-Estradiol 17-propionate
- Molecular formula
- C21H28O3
- Molecular weight
- 328.45
Names & synonyms
3758-34-7Estradiol, 17-propionateRefChem:591263ESTRADIOL 17-PROPIONATEestradiol propionatebeta-Estradiol 17-propionate[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] propanoateDTXSID4048985K31PC34297AkrofollinEstra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-propanoateUNII-K31PC34297
Show more names
oestradiol propionateB-estradiol 17-propionate17β-Estradiol 17-Propionate(17β)-Estradiol 17-propionate17-BETA-ESTRADIOL 17-PROPIONATEβ-Estradiol 17-propionate solution17BETA-ESTRADIOL 17-PROPIONATE VETRANAL,1,3,5(10)-estratriene-3,17β-diol 17-propionate
NCGC00183033-01(17beta)-Estra-1,3,5(10)-triene-3,17-diol 17-Propanoate; Estradiol 17-Propionate 17beta-Estradiol 17-Propionate; Akrofollin; Estradiol Propionate; Oestra-1,3,5(10)-trien-3,17beta-diol 17-Propionate;(1S,3aS,3bR,9bS,11aS)-7-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-1-yl propanoateEINECS 223-164-7SCHEMBL48099217beta-Estradiol 17-propionateCHEMBL2356687DTXCID4028911
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 46.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 489
Experimental & physicochemical properties
Endocrine DisruptorsPotential endocrine disrupting compound
Physicochemical properties
- Melting point
- 199 · 199-200 °C
- Boiling point
- 462.4 · 462.4±45.0 °C(Predicted)
- Density
- 1.16 · 1.16±0.1 g/cm3(Predicted)
- solubility
- DMSO (Slightly), Dioxane (Slightly), Methanol (Slightly, Heated)
- pka
- 10.25 · 10.25±0.60(Predicted)
- form
- Solid
- color
- White
- FDA UNII
- 31 PC34297 · K31PC34297
- Symbol(GHS)
- 8 · GHS08
- Signal word
- Warning
- Hazard statements
- 351 · H351
- Precautionary statements
- 201 · P201-P202-P281-P308+P313-P405-P501
- Hazard Codes
- Xn,N,F
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H351 (100%): Suspected of causing cancer [Warning Carcinogenicity]
P203, P260, P263, P264, P270, P280, P318, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 63 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesCarc. 2 (100%)
Safety data
- wgk
- 3
- risk_code
- 40-48-67-65-50/53-38-20-11
- Signal word
- Warning
- Symbol(GHS)
- GHS08
- hazard_code
- Xn,N,F
- safety_code
- 22-24/25-62-61-60-33-25-16-9
- Hazard statements
- H351
- Precautionary statements
- P201-P202-P281-P308+P313-P405-P501
Chemistry & industry
Applications
UsesA 17β-estradiol ester as prodrug of Estradiol (E888000).
Suppliers7 total
上海赛可锐生物科技有限公司021-58000709 13120558703 · [email protected]
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
上海维亦特生物科技有限公司15317051735 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
career henan chemical co+86-0371-86658258 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 13028896684 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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