Estra-1,3,5(10)-triene-3,17beta-diol bis(cyclopentanepropionate)

Base Information

• Chemical Name: Estra-1,3,5(10)-triene-3,17beta-diol bis(cyclopentanepropionate)
• CAS No.: 633-36-3
• Molecular Formula: C34H48 O4
• Molecular Weight: 520.753
• European Community (EC) Number: 211-192-2
• UNII: EV7SH765LS
• DSSTox Substance ID: DTXSID80979386
• Nikkaji Number: J6.902G
• Wikipedia: Estradiol dicypionate,Estradiol_dicypionate
• Wikidata: Q82965010
• Mol file: 633-36-3.mol

Synonyms:633-36-3;Estradiol Dicypionate;Estra-1,3,5(10)-triene-3,17beta-diol bis(cyclopentanepropionate);EINECS 211-192-2;EV7SH765LS;Estradiol 3,17beta-dicypionate;Estradiol, bis(cyclopentanepropionate);[(8R,9S,13S,14S,17S)-3-(3-cyclopentylpropanoyloxy)-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate;UNII-EV7SH765LS;SCHEMBL4649449;DTXSID80979386;C34-H48-O4;Estra-1(10),2,4-triene-3,17-diyl bis(3-cyclopentylpropanoate);Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, dicyclopentanepropanoate;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, dicyclopentanepropanoate;(1S,3aS,3bR,9bS,11aS)-1-[(3-cyclopentylpropanoyl)oxy]-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl 3-cyclopentylpropanoate

Chemical Property of Estra-1,3,5(10)-triene-3,17beta-diol bis(cyclopentanepropionate)

Chemical Property:

• PSA: 52.60000
• LogP: 8.30070
• XLogP3: 8.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 10
• Exact Mass: 520.35526001
• Heavy Atom Count: 38
• Complexity: 826

Purity/Quality:

99% ^*data from raw suppliers

EstradiolDicypionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)OC(=O)CCC6CCCC6
• Isomeric SMILES: C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)OC(=O)CCC6CCCC6
• Uses: Estradiol Dicypionate is a metabolite of Estradiol (E888000), which is the major estrogen secreted by the premenopausal ovary.

Technology Process of Estra-1,3,5(10)-triene-3,17beta-diol bis(cyclopentanepropionate)

There total 1 articles about Estra-1,3,5(10)-triene-3,17beta-diol bis(cyclopentanepropionate) which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

cyclopentanepropanoyl chloride (104-97-2) + estradiol (50-28-2) → 3,17β-bis-(3-cyclopentyl-propionyloxy)-estra-1,3,5(10)-triene (633-36-3)

Guidance literature:

With pyridine;

Reference yield:

3,17β-bis-(3-cyclopentyl-propionyloxy)-estra-1,3,5(10)-triene (633-36-3) → estradiol 17β-cypionate (313-06-4)

Guidance literature:

With potassium carbonate;

upstream raw materials:

cyclopentanepropanoyl chloride

estradiol

Downstream raw materials:

estradiol 17β-cypionate