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| CAS No.: | 15262-86-9 |
|---|---|
| Name: | Testosterone isocaproate |
| Molecular Structure: | |
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| Formula: | C25H38O3 |
| Molecular Weight: | 386.575 |
| 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; |
| EINECS: | 239-307-1 |
| Density: | 1.07 g/cm3 |
| Melting Point: | 188.6 °C |
| Boiling Point: | 487.6 °C at 760 mmHg |
| Flash Point: | 208 °C |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-40 |
| Safety: | 22-36 |
| PSA: | 43.37000 |
| LogP: | 5.86630 |
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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