4-Hydroxyestradiol

Base Information

Chemical Name:4-Hydroxyestradiol
CAS No.:5976-61-4
Molecular Formula:C₁₈H₂₄O₃
Molecular Weight:288.387
Hs Code.:
European Community (EC) Number:637-368-2
UNII:C3ZO03450E
DSSTox Substance ID:DTXSID3022374
Nikkaji Number:J353.576B
Wikipedia:4-Hydroxyestradiol
Wikidata:Q27104901
NCI Thesaurus Code:C120473
Metabolomics Workbench ID:35288
ChEMBL ID:CHEMBL1412489
Mol file:5976-61-4.mol

Synonyms:4-hydroxyestradiol;4-hydroxyestradiol-17 alpha;4-hydroxyestradiol-17 beta

Suppliers and Price of 4-Hydroxyestradiol

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-Hydroxy-17β-estradiol
2.5mg
$ 160.00

Sigma-Aldrich
4-Hydroxyestradiol
5mg
$ 351.00

Sigma-Aldrich
4-Hydroxyestradiol analytical standard
2mg
$ 315.00

Sigma-Aldrich
4-Hydroxyestradiol
1mg
$ 112.00

American Custom Chemicals Corporation
4-HYDROXYESTRADIOL 95.00%
25MG
$ 1871.10

American Custom Chemicals Corporation
4-HYDROXYESTRADIOL 95.00%
2.5MG
$ 704.00

Total 15 raw suppliers

Chemical Property of 4-Hydroxyestradiol

Chemical Property:

Vapor Pressure:1.39E-09mmHg at 25°C
Melting Point:>210oC (dec.)
Refractive Index:1.5000 (estimate)
Boiling Point:468.6°C at 760 mmHg
PKA:10.07±0.60(Predicted)
Flash Point:220.6°C
PSA：60.69000
Density:1.248g/cm³
LogP:3.31480
Storage Temp.:−20°C
Solubility.:Ethanol (Slightly, Heated), Ethyl Acetate (Slightly, Heated), Methanol (Slightly
XLogP3:3.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:288.17254462
Heavy Atom Count:21
Complexity:411

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Hydroxy-17β-estradiol ^*data from reagent suppliers

Safty Information:

Pictogram(s): Xn
Hazard Codes:Xn
Statements: 40
Safety Statements: 22-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC12CCC3C(C1CCC2O)CCC4=C3C=CC(=C4O)O
Isomeric SMILES:C[C@]12CC[C@H]3[C@H]([C@@H]1CC[C@@H]2O)CCC4=C3C=CC(=C4O)O

Technology Process of 4-Hydroxyestradiol

There total 3 articles about 4-Hydroxyestradiol 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: 42.0%

: 50-28-2
estradiol

: 5976-61-4,72704-99-5
4-Hydroxyestradiol

: 362-05-0
2-Hydroxyestradiol

Guidance literature:: With 1-hydroxy-3H-benz[d][1,2]iodoxole-1,3-dione; In methanol; chloroform; at -25 ℃; for 24h;
DOI:10.1016/j.tetlet.2005.03.060

Reference yield:

: 50-28-2
estradiol

: 5976-61-4,72704-99-5
4-Hydroxyestradiol

: 362-05-0
2-Hydroxyestradiol

: 50-27-1,300853-07-0
Estriol

Guidance literature:: With cytochrome P₄₅₀ 1A₂; NADPH-generating system; In phosphate buffer; at 37 ℃; for 0.25h; pH=7.4; Further Variations:; Reagents; time; Enzyme kinetics;
DOI:10.1021/tx970217f

Reference yield:

: 90746-96-6
1-O-(3,4-dihydroxy-1,3,5(10)-estratrien-17β-yl)-β-D-glucopyranosiduronic acid

: 6556-12-3,489-91-8,528-16-5,552-12-5,577-46-8,643-33-4,2240-07-5,6294-16-2,10133-02-5,18402-78-3,18968-14-4,21179-08-8,23018-83-9,33599-45-0,33599-46-1,46171-67-9,46171-69-1,46172-26-3,70021-34-0,71031-08-8,104195-06-4,106499-29-0,124817-72-7
D-glucuronic acid

: 5976-61-4,72704-99-5
4-Hydroxyestradiol

Guidance literature:: With β-glucuronidase from Helix pomatia; In various solvent(s); at 37 ℃; for 24h; Product distribution; pH=5.2;
DOI:10.1248/cpb.34.179