Testosterone isocaproate

Base Information

• Chemical Name: Testosterone isocaproate
• CAS No.: 15262-86-9
• Molecular Formula: C25H38O3
• Molecular Weight: 386.575
• Hs Code.: 2942000000
• European Community (EC) Number: 239-307-1
• NSC Number: 26641
• UNII: X8ST05GYDM
• DSSTox Substance ID: DTXSID0046806
• Nikkaji Number: J218.390K
• Wikipedia: Testosterone_isocaproate
• Wikidata: Q21099574
• ChEMBL ID: CHEMBL3189011
• Mol file: 15262-86-9.mol

Synonyms:testosterone isocaproate

Chemical Property of Testosterone isocaproate

Chemical Property:

• Vapor Pressure: 1.17E-09mmHg at 25°C
• Melting Point: 188.6 °C
• Refractive Index: 1.529
• Boiling Point: 487.6 °C at 760 mmHg
• Flash Point: 208 °C
• PSA: 43.37000
• Density: 1.07 g/cm³
• LogP: 5.86630
• Solubility.: Practically insoluble in water, very soluble in acetone and in methylene chloride, freely soluble in fatty oils.
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 386.28209507
• Heavy Atom Count: 28
• Complexity: 677

Purity/Quality:

99% ^*data from raw suppliers

Testosterone isocaproate European Pharmacopoeia (EP) Reference Standard ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)CCC(=O)OC1CCC2C1(CCC3C2CCC4=CC(=O)CCC34C)C
• Isomeric SMILES: CC(C)CCC(=O)O[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=CC(=O)CC[C@]34C)C
• Description: Testosterone isocaproate is a testosterone ester with improved bioavailability and metabolic half life compared to the endogenous hormone.It used to testosterone replacement therapy in sterilization, missing testicle, hypopituitarism, and osteoporosis.
• Uses: Testosterone Isocaproate is used in the treatment of male hypogonadism (a condition in which the body does not produce enough testosterone).

Technology Process of Testosterone isocaproate

There total 6 articles about Testosterone isocaproate 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:

3β-Hydroxy-17β-oxyisocapronyl-androsten (52129-11-0) → Testosterone isocaproate (15262-86-9)

Guidance literature:

With cyclohexanone; aluminum isopropoxide; In toluene;

Reference yield:

4-Methylpentanoic acid (646-07-1) → Testosterone isocaproate (15262-86-9)

Guidance literature:

Multi-step reaction with 3 steps

1: (i) PhSO₂Cl, Py, (ii) /BRN= 2510253/

2: KOH / methanol; CH₂Cl₂

3: Al(OiPr)3, cyclohexanone / toluene

With potassium hydroxide; cyclohexanone; aluminum isopropoxide; In methanol; dichloromethane; toluene;

Reference yield:

4-Methyl-pentanoic acid (3S,8R,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester (52129-06-3) → Testosterone isocaproate (15262-86-9)

Guidance literature:

Multi-step reaction with 2 steps

1: KOH / methanol; CH₂Cl₂

2: Al(OiPr)3, cyclohexanone / toluene

With potassium hydroxide; cyclohexanone; aluminum isopropoxide; In methanol; dichloromethane; toluene;

upstream raw materials:

3β-Hydroxy-17β-oxyisocapronyl-androsten

4-Methylpentanoic acid

4-Methyl-pentanoic acid (3S,8R,9S,10R,13S,14S,17S)-3-acetoxy-10,13-dimethyl-2,3,4,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl ester

androstenediol-3-acetate