Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate

Base Information

• Chemical Name: Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate
• CAS No.: 313-06-4
• Molecular Formula: C26H36O3
• Molecular Weight: 396.57
• Hs Code.: 29372390
• DSSTox Substance ID: DTXSID30859326
• Mol file: 313-06-4.mol

Synonyms:3-Hydroxyestra-1,3,5(10)-trien-17-yl 3-cyclopentylpropanoate;C26H36O3;Estra-1,3,5(10)-triene-3,17-diol (17.beta.)-, 17-cyclopentanepropanoate;D0U0XD;beta -Estradiol 17-cypionate;Estra-1,3,5(10)-trieno-3,17-diol (17?)-, 17-coclopentanopropanoato;SCHEMBL20130822;DTXSID30859326;Estra-1,3,5(10)-triene-3,17-diol, 17-cyclopentanepropanoate, (17.beta.)-;AKOS025401445;AC-1672;FT-0603375;,17beta-Hydroxy-1,3,5(10)-estratriene 17-cyclopentylpropionate;(17b)-estra-1,3,5(10)-triene-3,17-diol 17-cyclopentane propanoate;[(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] 3-cyclopentylpropanoate

Chemical Property of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate

Chemical Property:

• Appearance/Colour: white or off-white crystalline powder
• Vapor Pressure: 5.73E-12mmHg at 25°C
• Melting Point: 149-153 °C
• Refractive Index: 1.579
• Boiling Point: 532.8 °C at 760mmHg
• PKA: 10.25±0.60(Predicted)
• Flash Point: 207.7 °C
• PSA: 46.53000
• Density: 1.15 g/cm³
• LogP: 6.13050
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Methanol (Slightly)
• XLogP3: 7.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 396.26644501
• Heavy Atom Count: 29
• Complexity: 597

Purity/Quality:

99.00% ^*data from raw suppliers

Estradiol cypionate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,Xi
• Hazard Codes: T,Xi
• Statements: 45-46-61-20/21/22-36/37/38
• Safety Statements: 53-22-36/37/39-45-26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC12CCC3C(C1CCC2OC(=O)CCC4CCCC4)CCC5=C3C=CC(=C5)O
• Uses: Estradiol Cypionate is the cypionate salt form of estradiol, the most potent, naturally produced estrogen. Estradiol Cypionate is present in injectable contraceptive formulations. Used in hormone replacement therapy with potential for improving cognition in post-menopausal women.
• Therapeutic Function: Estrogen

Technology Process of Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate

There total 3 articles about Estra-1,3,5(10)-triene-3,17-diol (17beta)-, 17-cyclopentanepropanoate 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:

3,17β-bis-(3-cyclopentyl-propionyloxy)-estra-1,3,5(10)-triene (633-36-3) → estradiol 17β-cypionate (313-06-4)

Guidance literature:

With potassium carbonate;

Reference yield:

estradiol (50-28-2) → estradiol 17β-cypionate (313-06-4)

Guidance literature:

Multi-step reaction with 2 steps

1: pyridine

2: aqueous methanol. K₂CO₃

With pyridine; potassium carbonate;

Reference yield:

→ 17β-<3-Cyclopentyl-propionyloxy>-Δ1,3,5(10)-oestratrienol-(3) (313-06-4)

Guidance literature:

3-Cyclopentyl-propionsaeure-methylester, Oestradiol-17-propionat ;

upstream raw materials:

3,17β-bis-(3-cyclopentyl-propionyloxy)-estra-1,3,5(10)-triene

estradiol