Estradiol acetate

Base Information

Chemical Name:Estradiol acetate
CAS No.:4245-41-4
Deprecated CAS:25975-62-6
Molecular Formula:C20H26O3
Molecular Weight:314.425
Hs Code.:
European Community (EC) Number:639-449-8
UNII:5R97F5H93P
DSSTox Substance ID:DTXSID7045867
Nikkaji Number:J494.628F
Wikipedia:Estradiol_acetate
Wikidata:Q27262772
NCI Thesaurus Code:C47990
RXCUI:405416
Pharos Ligand ID:829XA4NUJX6R
Metabolomics Workbench ID:154690
ChEMBL ID:CHEMBL1200430

Synonyms:Estradiol acetate;Femring;Femtrace;Estradiol 3-acetate;Estradiol-3-acetate;4245-41-4;Menoring;Estradiol acetate [USAN];3-O-Acetylestradiol;Estradiol, 3-acetate;17beta-Estradiol 3-acetate;UNII-5R97F5H93P;E 3A;E3A;DTXSID7045867;5R97F5H93P;beta-Estradiol 3-acetate;Estradiol acetate (USAN);3-Acetoxyestra-1,3,5(10)-trien-17beta-ol;[(8R,9S,13S,14S,17S)-17-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-yl] acetate;17beta-Hydroxy-3-acetoxyestra-1,3,5(10)-triene;17beta-Hydroxyestra-1,3,5(10)-trien-3-yl acetate;Estra-1,3,5(10)-triene-3,17beta-diyl 3-acetate;DTXCID5025867;Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 3-acetate;CAS-4245-41-4;estradiol-acetate;-Estradiol 3-acetate;17-beta-Estradiol-acetate;D0T7ZQ;Estra-1,3,5(10)-triene-3,17-diol, (17beta)-, 3-acetate;SCHEMBL148561;CHEMBL1200430;ESTRADIOL ACETATE [VANDF];CHEBI:135981;ESTRADIOL 3-ACETATE [MI];ESTRADIOL ACETATE [MART.];ESTRADIOL ACETATE [WHO-DD];Tox21_111359;Tox21_113661;DB13952;ESTRADIOL ACETATE [ORANGE BOOK];NCGC00249885-01;D04061;3-Acetoxy-oestra-1,3,5(10)-trien-17beta-ol;EN300-24433021;3-(Acetyloxy)estra-1,3,5(10)-trien-17.beta.-ol;Q27262772;Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 3-acetate;Estra-1,3,5(10)-triene-3,17-diol, (17 beta)-, 3-acetate;ESTRA-1,3,5(10)-TRIENE-3,17-DIOL, (17.BETA.)-, 3-ACETATE;(1S,3aS,3bR,9bS,11aS)-1-hydroxy-11a-methyl-1H,2H,3H,3aH,3bH,4H,5H,9bH,10H,11H,11aH-cyclopenta[a]phenanthren-7-yl acetate

Suppliers and Price of Estradiol acetate

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

Total 18 raw suppliers

Chemical Property of Estradiol acetate

Chemical Property:

Vapor Pressure:4.32E-09mmHg at 25°C
Boiling Point:455.5°C at 760 mmHg
Flash Point:184.4°C
Density:1.156g/cm³
XLogP3:2.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:314.18819469
Heavy Atom Count:23
Complexity:476

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC(=O)OC1=CC2=C(C=C1)C3CCC4(C(C3CC2)CCC4O)C
Isomeric SMILES:CC(=O)OC1=CC2=C(C=C1)[C@H]3CC[C@]4([C@H]([C@@H]3CC2)CC[C@@H]4O)C
Recent ClinicalTrials:Hormone Replacement Therapy for Use in Postmenopausal Women for Relief of Hot Flushes and Urogenital Symptoms.

Technology Process of Estradiol acetate

There total 1 articles about Estradiol acetate 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: 3.4%

: 50-28-2
estradiol

: 108-24-7
acetic anhydride

: 4245-41-4
estradiol 3-acetate

: 1474-52-8,3434-88-6,21610-94-6,99946-40-4
estradiol-3,17-diacetate

Guidance literature:: With pyridine; at 0 ℃; for 1h;
DOI:10.1248/cpb.29.3202

Reference yield: 100.0%

: 4245-41-4
estradiol 3-acetate

: 98-88-4
benzoyl chloride

: 63077-03-2
3-acetoxy-17β-benzoyloxy-estra-1,3,5(10)-triene

Guidance literature:: In pyridine; methanol;

Reference yield: 85.0%

: 4245-41-4
estradiol 3-acetate

: 901-93-9
estrone acetate

Guidance literature:: With tetrapropylammonium perruthennate; 4 A molecular sieve; 4-methylmorpholine N-oxide; In dichloromethane; for 0.5h;
DOI:10.1016/0039-128X(93)90019-J