Estradiol 17-O-Octadecanoate

Base Information

Chemical Name:Estradiol 17-O-Octadecanoate
CAS No.:82205-00-3
Molecular Formula:C₃₆H₅₈O₃
Molecular Weight:538.855
Hs Code.:
UNII:59G2KR8QBG
DSSTox Substance ID:DTXSID401002548
Nikkaji Number:J396.240G
Wikipedia:Estradiol_stearate
Wikidata:Q24884539
Mol file:82205-00-3.mol

Synonyms:estradiol 17beta-stearate;estradiol-17-stearate;estradiol-17beta-stearate

Suppliers and Price of Estradiol 17-O-Octadecanoate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
Estradiol17-O-Octadecanoate
1g
$ 335.00

TRC
Estradiol17-O-Octadecanoate
2.5g
$ 670.00

American Custom Chemicals Corporation
ESTRADIOL 17-O-OCTADECANOATE 95.00%
5MG
$ 504.76

Total 4 raw suppliers

Chemical Property of Estradiol 17-O-Octadecanoate

Chemical Property:

Vapor Pressure:1.88E-16mmHg at 25°C
Melting Point:94°C
Boiling Point:629.7°C at 760 mmHg
Flash Point:227.2°C
PSA：46.53000
Density:1.02g/cm³
LogP:10.42160
XLogP3:13
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:18
Exact Mass:538.43859571
Heavy Atom Count:39
Complexity:705

Purity/Quality:

99% ^*data from raw suppliers

Estradiol17-O-Octadecanoate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CCCCCCCCCCCCCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
Isomeric SMILES:CCCCCCCCCCCCCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
Uses Estradiol 17-O-octadecanoate is one of the estradiol fatty acid esters which are the most potent of the naturally occurring steroidal estrogens.

Technology Process of Estradiol 17-O-Octadecanoate

There total 3 articles about Estradiol 17-O-Octadecanoate 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:

: 126144-03-4
estradiol distearate

: 82205-00-3
estradiol-17β stearate

Guidance literature:: With 1-butyl-3-methylimidazolium chloride; potassium hydroxide; In pyridine; toluene; at 80 ℃; for 0.0166667h; regioselective reaction; Microwave irradiation;
DOI:10.1016/j.steroids.2010.03.005

Reference yield:

: 14982-15-1
3-benzyloxyestra-1,3,5(10)-trien-17β-ol

: 112-76-5
Stearoyl chloride

: 82205-00-3
estradiol-17β stearate

Guidance literature:: With pyridine; at 60 ℃; Hydrogenolyse des erhaltenen, nicht naeher beschriebenen 3-Benzyloxy-17β-stearoyloxy-oestratriens-(1.3.5(10)) in Eisessig an Palladium;

Reference yield:

: 50-28-2
estradiol

: 112-76-5
Stearoyl chloride

: 82205-00-3
estradiol-17β stearate

Guidance literature:: With pyridine; sodium hydrogencarbonate; Yield given. Multistep reaction; 1.) 12 h, r.t., 2.) C₆H₆, CH₃OH, 50-55 deg C;
DOI:10.1002/oms.1210270612