Estradiol enanthate

Base Information

• Chemical Name: Estradiol enanthate
• CAS No.: 4956-37-0
• Molecular Formula: C₂₅H₃₆O₃
• Molecular Weight: 384.559
• Hs Code.: 2915900090
• European Community (EC) Number: 225-599-8
• UNII: PAP315WZIA
• DSSTox Substance ID: DTXSID3023001
• Nikkaji Number: J13.812F
• Wikipedia: Estradiol_enantate
• Wikidata: Q5401763
• NCI Thesaurus Code: C76996
• ChEMBL ID: CHEMBL1697792
• Mol file: 4956-37-0.mol

Synonyms:estradiol enanthate

Chemical Property of Estradiol enanthate

Chemical Property:

• Appearance/Colour: white crystalline powder
• Vapor Pressure: 5.27E-11mmHg at 25°C
• Melting Point: 94-96oC
• Refractive Index: 1.559
• Boiling Point: 509.5 °C at 760 mmHg
• PKA: 10.25±0.60(Predicted)
• Flash Point: 197.1 °C
• PSA: 46.53000
• Density: 1.11 g/cm³
• LogP: 6.13050
• Storage Temp.: Sealed in dry,Room Temperature
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 384.26644501
• Heavy Atom Count: 28
• Complexity: 546

Purity/Quality:

99% ^*data from raw suppliers

EstradiolEnanthate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21/22-40
• Safety Statements: 22-36

MSDS Files:

Useful:

• Canonical SMILES: CCCCCCC(=O)OC1CCC2C1(CCC3C2CCC4=C3C=CC(=C4)O)C
• Isomeric SMILES: CCCCCCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=C3C=CC(=C4)O)C
• Uses: Estrogen. Estradiol Enanthate has been used as an injectable contraceptive.

Technology Process of Estradiol enanthate

There total 6 articles about Estradiol enanthate 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:

estradiol (50-28-2) + Heptanoic acid chloride (2528-61-2) → 17β-estradiol enanthate (10093-54-6,4956-37-0)

Guidance literature:

estradiol; Heptanoic acid chloride; With pyridine; In toluene; at 20 - 35 ℃; for 1h;

With potassium carbonate; In methanol; water; at 35 - 40 ℃; for 1h; Solvent;

Reference yield:

estradiol (50-28-2) + Heptanoic acid chloride (2528-61-2) → 17β-estradiol enanthate (10093-54-6,4956-37-0) + 3,17-diheptanoic acid-17β-estradiol (7732-97-0)

Guidance literature:

With pyridine; In toluene; at 20 - 35 ℃; for 1h; Solvent;

Reference yield:

3,17-diheptanoic acid-17β-estradiol (7732-97-0) → 17β-estradiol enanthate (10093-54-6,4956-37-0)

Guidance literature:

With benzoic acid benzyl ester; at 160 ℃;

DOI:10.1002/jps.2600680621

upstream raw materials:

3-benzoyloxy-17β-heptanoyloxy-estra-1,3,5(10)-triene

19-nortestosterone

Heptanoic acid chloride

3,17-diheptanoic acid-17β-estradiol

Downstream raw materials:

estradiol

estradiol-17β 3-β-D-glucopyranoside

Refernces

• 1、 Roman,Yates,Millar,O'Neill,Zweig. "Stability-indicating analysis of injectable estrogen-androgen combinations in formulations containing corn oil". . p. 733 - 736. Retrieved 2007/10/17.