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Testosterone isocaproate

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Name

Testosterone isocaproate

EINECS 239-307-1
CAS No. 15262-86-9 Density 1.07 g/cm3
PSA 43.37000 LogP 5.86630
Solubility N/A Melting Point 188.6 °C
Formula C25H38O3 Boiling Point 487.6 °C at 760 mmHg
Molecular Weight 386.575 Flash Point 208 °C
Transport Information N/A Appearance N/A
Safety 22-36 Risk Codes 20/21/22-40
Molecular Structure Molecular Structure of 15262-86-9 (Testosterone isocaproate) Hazard Symbols HarmfulXn
Synonyms

Testosterone,4-methylvalerate (6CI,8CI);Valeric acid, 4-methyl-, ester with testosterone(8CI);3-Oxoandrost-4-en-17b-yl isocaproate;NSC 26641;Testosterone 17-isocaproate;Testosterone4-methylpentanoate;

 

Testosterone isocaproate Specification

The Testosterone isocaproate is a testosterone ester with the formula C25H38O3. The IUPAC name of this chemical is [(8R,9S,10R,13S,14S,17S)-10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl] 4-methylpentanoate. With the CAS registry number 15262-86-9 and EINECS 239-307-1, it is also named as 17beta-Hydroxyandrost-4-ene-3-one 4-methylvalerate. The product's category is Steroids.

The other characteristics of Testosterone isocaproate can be summarized as: (1)ACD/LogP: 6.31; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 3; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 5; (6)Polar Surface Area: 43.37 Å2; (7)Index of Refraction: 1.529; (8)Molar Refractivity: 111.19 cm3; (9)Molar Volume: 360.3 cm3; (10)Polarizability: 44.08×10-24 cm3; (11)Surface Tension: 40.7 dyne/cm; (12)Enthalpy of Vaporization: 75.35 kJ/mol; (13)Vapour Pressure: 1.17E-09 mmHg at 25°C; (14)Rotatable Bond Count: 5; (15)Tautomer Count: 5; (16)Exact Mass: 386.282095; (17)MonoIsotopic Mass: 386.282095; (18)Topological Polar Surface Area: 43.4; (19)Heavy Atom Count: 28; (20)Complexity: 677.

When you are using this chemical, please be cautious about it as the following:
It is harmful by inhalation, in contact with skin and if swallowed. It also has limited evidence of a carcinogenic effect. So people should not breathe dust. If you want to contact this product, you must wear suitable protective clothing.

People can use the following data to convert to the molecule structure. 
1. SMILES:O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@H](OC(=O)CCC(C)C)CC[C@H]3[C@@H]1CC2)C)(C)CC4
2. InChI:InChI=1/C25H38O3/c1-16(2)5-10-23(27)28-22-9-8-20-19-7-6-17-15-18(26)11-13-24(17,3)21(19)12-14-25(20,22)4/h15-16,19-22H,5-14H2,1-4H3/t19-,20-,21-,22-,24-,25-/m0/s1
3. InChIKey:PPYHLSBUTAPNGT-BKWLFHPQBW

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