4-Bromoestra-1,3,5(10)-triene-3,17-diol

Base Information

Chemical Name:4-Bromoestra-1,3,5(10)-triene-3,17-diol
CAS No.:1630-83-7
Molecular Formula:C18H23BrO2
Molecular Weight:351.283
Hs Code.:
NSC Number:104802
DSSTox Substance ID:DTXSID80936777
Mol file:1630-83-7.mol

Synonyms:4-bromoestra-1,3,5(10)-triene-3,17-diol;1630-83-7;4-bromo-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-3,17-diol;4-Bromoestradiol;NSC104802;4-Bromo-17.beta.-estradiol;DTXSID80936777;NSC-104802;EU-0040719;SR-01000455530;SR-01000455530-1;Estra-1,5(10)-triene-3,17.beta.-diol, 4-bromo-;Estra-1,5(10)-triene-3,17-diol, 4-bromo-, (17.beta.)-

Suppliers and Price of 4-Bromoestra-1,3,5(10)-triene-3,17-diol

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
4-Bromo17β-Estradiol
25mg
$ 165.00

Medical Isotopes, Inc.
4-Bromo17β-Estradiol
2.5 mg
$ 650.00

Total 7 raw suppliers

Chemical Property of 4-Bromoestra-1,3,5(10)-triene-3,17-diol

Chemical Property:

Vapor Pressure:4.39E-09mmHg at 25°C
Boiling Point:455.4°Cat760mmHg
Flash Point:229.2°C
PSA：40.46000
Density:1.411g/cm³
LogP:4.37170
Solubility.:Methanol
XLogP3:4.7
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:350.08814
Heavy Atom Count:21
Complexity:414

Purity/Quality:

99% ^*data from raw suppliers

4-Bromo17β-Estradiol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4Br)O
Uses 17β-Estradiol (E888000) metabolite. An inhibitor of androstenedione aromatization, which is responsible for the conversion of androgens to estrogens. Agonistic ligands for the estrogen receptor in MCF-7 breast cancer cells.

Technology Process of 4-Bromoestra-1,3,5(10)-triene-3,17-diol

There total 14 articles about 4-Bromoestra-1,3,5(10)-triene-3,17-diol 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: 96.0%

: 50-28-2
estradiol

: 1630-83-7
4-bromo-β-estradiol

Guidance literature:: With N-Bromosuccinimide; In methanol; at 20 ℃; for 24h; Schlenk technique;

Reference yield: 80.0%

: 19590-55-7
2,4-dibromoestradiol

: 1630-83-7
4-bromo-β-estradiol

Guidance literature:: With hydrogen; palladium on activated charcoal; In ethanol; under 735.5 Torr; Ambient temperature;
DOI:10.1039/c39830000533