4-Methoxyestradiol

Base Information

Chemical Name:4-Methoxyestradiol
CAS No.:26788-23-8
Molecular Formula:C₁₉H₂₆O₃
Molecular Weight:302.414
Hs Code.:
UNII:R6YV5Q2LKS
DSSTox Substance ID:DTXSID50949596
Nikkaji Number:J418.324J
Wikipedia:4-Methoxyestradiol
Wikidata:Q28209791
NCI Thesaurus Code:C120469
Metabolomics Workbench ID:42103
ChEMBL ID:CHEMBL4084860
Mol file:26788-23-8.mol

Synonyms:4-methoxyestradiol;4-methoxyestradiol-17 beta

Suppliers and Price of 4-Methoxyestradiol

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-Methoxy17β-Estradiol
25mg
$ 1455.00

TRC
4-Methoxy17β-Estradiol
2.5mg
$ 185.00

TRC
4-Methoxy17β-Estradiol
10mg
$ 675.00

TRC
4-Methoxy17β-Estradiol
5mg
$ 350.00

Medical Isotopes, Inc.
4-Methoxy17β-Estradiol
1 mg
$ 290.00

IsoSciences
4-Methoxyestradiol ≥95%
1mg
$ 86.00

American Custom Chemicals Corporation
4-METHOXY-17-BETA-ESTRADIOL 95.00%
25MG
$ 1963.50

American Custom Chemicals Corporation
4-METHOXY-17-BETA-ESTRADIOL 95.00%
2.5MG
$ 715.00

Total 7 raw suppliers

Chemical Property of 4-Methoxyestradiol

Chemical Property:

Vapor Pressure:1.03E-09mmHg at 25°C
Boiling Point:472°Cat760mmHg
PKA:10.29±0.60(Predicted)
Flash Point:239.2°C
PSA：49.69000
Density:1.178g/cm³
LogP:3.61780
Storage Temp.:Refrigerator
Solubility.:Chloroform (Slightly, Sonicated), Methanol
XLogP3:4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:302.18819469
Heavy Atom Count:22
Complexity:425

Purity/Quality:

97% ^*data from raw suppliers

4-Methoxy17β-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(=C4OC)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4OC)O
Uses A metabolite of 17?Estradiol A metabolite of 17β-Estradiol.

Technology Process of 4-Methoxyestradiol

There total 10 articles about 4-Methoxyestradiol 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%

: 61748-87-6
4-iodo-17β-estradiol

: 124-41-4
sodium methylate

: 26788-23-8,104542-68-9
4-methoxy-17β-estradiol

Guidance literature:: With copper dichloride; In methanol; N,N-dimethyl-formamide; at 110 ℃; for 0.0833333h; Heating;

Reference yield: 80.0%

: 1630-83-7
4-bromo-β-estradiol

: 124-41-4
sodium methylate

: 26788-23-8,104542-68-9
4-methoxy-17β-estradiol

Guidance literature:: copper(l) iodide; 2,3,5,6,8,9,11,12-octahydro-1,4,7,10,13-benzopentaoxacyclopentadecin; In N,N-dimethyl-formamide; at 105 - 110 ℃; for 13h;
DOI:10.1016/0039-128X(86)90077-2

Reference yield:

: 19590-55-7
2,4-dibromoestradiol

: 26788-23-8,104542-68-9
4-methoxy-17β-estradiol

Guidance literature:: Multi-step reaction with 3 steps

1: H₂ / 5percent Pd/C / ethanol / Ambient temperature

2: 40 percent / NBS / dimethylformamide / 24 h / Ambient temperature

3: 75 percent / CuCl₂ / methanol; dimethylformamide / 1.25 h / 110 °C / Heating

With N-Bromosuccinimide; hydrogen; copper dichloride; palladium on activated charcoal; In methanol; ethanol; N,N-dimethyl-formamide;