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| CAS No.: | 1255-49-8 |
|---|---|
| Name: | Testosterone phenylpropionate |
| Molecular Structure: | |
|
|
|
| Formula: | C28H36O3 |
| Molecular Weight: | 420.592 |
| Synonyms: | Testosterone,hydrocinnamate (6CI,7CI,8CI);Hydrocinnamic acid, ester with testosterone(8CI);3-Oxoandrost-4-en-17b-yl b-phenylpropionate;Hydrocinnamic acid, testosterone ester;NSC 26643;Retandrol;Testosterone17-phenylpropionate; |
| EINECS: | 215-014-4 |
| Density: | 1.13 g/cm3 |
| Melting Point: | 116.5 °C |
| Boiling Point: | 546.9 °C at 760 mmHg |
| Flash Point: | 233.3 °C |
| Solubility: | 2.25mg/L(25 oC) |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 Xn
|
| Risk Codes: | 20/21/22-40 |
| Safety: | 22-36 |
| PSA: | 43.37000 |
| LogP: | 6.06290 |
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- 1255-49-8
testosterone 17β-phenylpropionate
| Conditions | Yield |
|---|---|
| With Zn4(OCOCF3)6O In di-isopropyl ether for 40h; Heating; | 96% |
| Conditions | Yield |
|---|---|
| With 3-butyl-1-methylimidazolium acetate In 1,4-dioxane at 120℃; for 2h; | 64% |
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- 1255-49-8
testosterone 17β-phenylpropionate
| Conditions | Yield |
|---|---|
| With potassium tert-butylate; C16H35BrMnN3O2P2 In 1,4-dioxane at 130℃; for 24h; Inert atmosphere; | 62.8% |
| Conditions | Yield |
|---|---|
| With pyridine at 20℃; | |
| at 100℃; | |
| With pyridine at 20℃; | |
| at 100℃; |
| Conditions | Yield |
|---|---|
| With pyridine | |
| With pyridine; benzene | |
| With pyridine | |
| With pyridine; benzene |
| Conditions | Yield |
|---|---|
| With carbon dioxide at 220℃; |
- 52129-14-3
3-Phenyl-propionic acid (3S,8R,9S,10R,13S,14S,17S)-3-hydroxy-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
- 1255-49-8
testosterone 17β-phenylpropionate
| Conditions | Yield |
|---|---|
| With cyclohexanone; aluminum isopropoxide In toluene |
- 52129-09-6
3-Phenyl-propionic 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
- 1255-49-8
testosterone 17β-phenylpropionate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: KOH / methanol; CH2Cl2 2: Al(OiPr)3, cyclohexanone / toluene View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: (i) PhSO2Cl, Py, (ii) /BRN= 2510253/ 2: KOH / methanol; CH2Cl2 3: Al(OiPr)3, cyclohexanone / toluene View Scheme |
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: (i) PhSO2Cl, Py, (ii) /BRN= 2510253/ 2: KOH / methanol; CH2Cl2 3: Al(OiPr)3, cyclohexanone / toluene View Scheme |
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Specification
The Testosterone 17-phenylpropionate is steroid with the formula C28H36O3. 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] 3-phenylpropanoate. With the CAS registry number 1255-49-8, it is also named as 17beta-Hydroxyandrost-4-en-3-one 3-phenylpropionate. The classification codes are Hormone and Reproductive Effect. Additionally, it is white crystalline powder which is used as pharmaceutical raw material and intermediate. Furthermore, this chemical is male hormone.
The other characteristics of Testosterone 17-phenylpropionate can be summarized as: (1)ACD/LogP: 6.45; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.45; (4)ACD/LogD (pH 7.4): 6.45; (5)#H bond acceptors: 3; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 5; (8)Index of Refraction: 1.573; (9)Molar Refractivity: 122.04 cm3; (10)Molar Volume: 369.9 cm3; (11)Polarizability: 48.38×10-24 cm3; (12)Surface Tension: 46.5 dyne/cm; (13)Enthalpy of Vaporization: 82.61 kJ/mol; (14)Vapour Pressure: 5.16E-12 mmHg at 25°C; (15)Rotatable Bond Count: 5; (16)Tautomer Count: 5; (17)Exact Mass: 420.266445; (18)MonoIsotopic Mass: 420.266445; (19)Topological Polar Surface Area: 43.4; (20)Heavy Atom Count: 31; (21)Complexity: 747.
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, so people should not breathe dust. And it has limited evidence of a carcinogenic effect. 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=C5\C=C3/[C@]([C@H]2CC[C@@]4([C@@H](OC(=O)CCc1ccccc1)CC[C@H]4[C@@H]2CC3)C)(C)CC5
2. InChI:InChI=1/C28H36O3/c1-27-16-14-21(29)18-20(27)9-10-22-23-11-12-25(28(23,2)17-15-24(22)27)31-26(30)13-8-19-6-4-3-5-7-19/h3-7,18,22-25H,8-17H2,1-2H3/t22-,23-,24-,25-,27-,28-/m0/s1