CAS No.2088-71-3,Testosterone benzoate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	2088-71-3
Name:	Testosterone benzoate
Article Data:	20

Formula:	C₂₆H₃₂O₃
Molecular Weight:	392.538
Synonyms:	Testosterone,benzoate (7CI,8CI);17b-Benzoyloxyandrost-4-en-3-one;17b-Hydroxyandrost-4-en-3-one benzoate;Androst-4-en-17b-ol-3-one benzoate;NSC 524278;Testosterone 17-benzoate;
EINECS:	218-232-8
Density:	1.16 g/cm³
Melting Point:	200 °C
Boiling Point:	522.4 °C at 760 mmHg
Flash Point:	224.8 °C
Solubility:	13mg/L(25 oC)
Hazard Symbols:	Xn
Risk Codes:	40-48
Safety:	36/37
PSA:	43.37000
LogP:	5.74390

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Specification

The CAS register number of Testosterone benzoate is 2088-71-3. It also can be called as Testosterone 17-benzoate and the IUPAC name about this chemical is (10,13-dimethyl-3-oxo-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl) benzoate. The molecular formula about this chemical is C₂₆H₃₂O₃and molecular weight is 392.53. It belongs to the following product categories which include Steroids; Alphabetic; TA - TE and so on.

Physical properties about Testosterone benzoate are: (1)ACD/LogP: 6.39; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.39; (4)ACD/LogD (pH 7.4): 6.39; (5)ACD/BCF (pH 5.5): 42307.39; (6)ACD/BCF (pH 7.4): 42307.39; (7)ACD/KOC (pH 5.5): 71313.52; (8)ACD/KOC (pH 7.4): 71313.52; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 3; (11)Polar Surface Area: 43.37Å²; (12)Index of Refraction: 1.582; (13)Molar Refractivity: 112.77 cm³; (14)Molar Volume: 337.6 cm³; (15)Polarizability: 44.7x10^-24cm³; (16)Surface Tension: 47.4 dyne/cm; (17)Flash Point: 224.8 °C; (18)Enthalpy of Vaporization: 79.58 kJ/mol; (19)Boiling Point: 522.4 °C at 760 mmHg; (20)Vapour Pressure: 5.2E-11 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical has danger of serious damage to health by prolonged exposure. It also has limited evidence of a carcinogenic effect. When you are using it, wear suitable protective clothing and gloves.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C5\C=C3/[C@]([C@H]2CC[C@@]4([C@@H](OC(=O)c1ccccc1)CC[C@H]4[C@@H]2CC3)C)(C)CC5
(2)InChI: InChI=1/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
(3)InChIKey: RZJSCADWIWNGKI-IXKNJLPQBM
(4)Std. InChI: InChI=1S/C26H32O3/c1-25-14-12-19(27)16-18(25)8-9-20-21-10-11-23(26(21,2)15-13-22(20)25)29-24(28)17-6-4-3-5-7-17/h3-7,16,20-23H,8-15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
(5)Std. InChIKey: RZJSCADWIWNGKI-IXKNJLPQSA-N