Equilenin

Base Information Edit

Chemical Name:Equilenin
CAS No.:517-09-9
Molecular Formula:C18H18 O2
Molecular Weight:266.34
Hs Code.:
European Community (EC) Number:208-230-5
UNII:W8FTJ17C4J
DSSTox Substance ID:DTXSID2052156
Nikkaji Number:J6.326F
Wikipedia:Equilenin
Wikidata:Q5384461
Pharos Ligand ID:M3JZQY4RCTYU
Metabolomics Workbench ID:35277
ChEMBL ID:CHEMBL225546
Mol file:517-09-9.mol

Synonyms:Equilenin

Suppliers and Price of Equilenin

Supply Marketing:Edit

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
Equilenin
2mg
$ 330.00

Sigma-Aldrich
Equilenin solution 100?μg/mL in acetonitrile, VETRANAL?, analytical standard
2 mL
$ 69.10

Sigma-Aldrich
Equilenin solution 100μg/mL in acetonitrile, VETRANAL
2ml-r
$ 67.00

Medical Isotopes, Inc.
Equilenin
1 mg
$ 650.00

Cayman Chemical
Equilenin ≥98%
1mg
$ 162.00

Cayman Chemical
Equilenin ≥98%
500μg
$ 107.00

Biosynth Carbosynth
Equilenin
5 mg
$ 600.00

Biosynth Carbosynth
Equilenin
2 mg
$ 400.00

Biosynth Carbosynth
Equilenin
25 mg
$ 1400.00

Biosynth Carbosynth
Equilenin
10 mg
$ 900.00

Total 20 raw suppliers

Chemical Property of Equilenin Edit

Chemical Property:

Vapor Pressure:1.48E-09mmHg at 25°C
Melting Point:258-259°
Refractive Index:1.4800 (estimate)
Boiling Point:472.6°Cat760mmHg
PKA:pKa 9.72 (H2O t=25.0±0.02 ) (Uncertain);9.75±0.06 (Uncertain)
Flash Point:200.9°C
PSA：37.30000
Density:1.242g/cm³
LogP:3.94440
Storage Temp.:2-8°C
Solubility.:DMSO (Slightly), Methanol (Slightly, Heated)
Water Solubility.:1.52mg/L(25 oC)
XLogP3:3.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:0
Exact Mass:266.130679813
Heavy Atom Count:20
Complexity:418

Purity/Quality:

99%, ^*data from raw suppliers

Equilenin ^*data from reagent suppliers

Safty Information:

Pictogram(s): F,Xn
Hazard Codes:F,Xn
Statements: 11-20/21/22-36-48-40
Safety Statements: 16-26-36-36/37

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

Canonical SMILES:CC12CCC3=C(C1CCC2=O)C=CC4=C3C=CC(=C4)O
Isomeric SMILES:C[C@]12CCC3=C([C@@H]1CCC2=O)C=CC4=C3C=CC(=C4)O
Uses Estrogenic steroidal hormone isolated from urine of pregnant mares. Occurs naturally in the d-form. Not found in human urine. Component of conjugated estrogenic hormones. Estrogen. Equilenin is a naturally occuring estrogenic steroidal hormone (1,2) isolated from urine of pregnant mares (3). Not found in human urine. Component of conjugated estrogenic hormones. Estrogen. This compound is a contaminant of emerging concern (CECs). Drinking water contaminant candidate list 3 (CCL 3) compound as per United States Environmental Protection Agency (EPA), environmental, and food contaminants.

Technology Process of Equilenin

There total 49 articles about Equilenin 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: 90.0%