Androsta-1,4-dien-3-one,17-(benzoyloxy)-, (17β)- supplier

Name
17beta-hydroxyandrosta-1,4-dien-3-one benzoate
EINECS 242-774-4
CAS No. 19041-66-8
Density 1.17 g/cm³
Solubility
Melting Point
Formula C₂₆H₃₀O₃
Boiling Point 524.5 °C at 760 mmHg
Molecular Weight 390.522
Flash Point 226.1 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Androsta-1,4-dien-3-one,17β-hydroxy-, benzoate(6CI,7CI,8CI);Androstadienolone benzoate;
PSA 43.37000
LogP 5.51990

Androsta-1,4-dien-3-one,17-(benzoyloxy)-, (17β)- Specification

The Androsta-1,4-dien-3-one,17-(benzoyloxy)-, (17β)-, with the CAS registry number 19041-66-8, is also known as (17β)-3-oxoandrosta-1,4-dien-17-yl benzoate. Its molecular formula is C₂₆H₃₀O₃and its molecular weight is 390.5146. Additionally, its IUPAC name is (10,13-dimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) benzoate.

Other characteristics of the Androsta-1,4-dien-3-one,17-(benzoyloxy)-, (17β)- can be summarised as followings: (1)ACD/LogP: 6.41; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.41; (4)ACD/LogD (pH 7.4): 6.41; (5)ACD/BCF (pH 5.5): 44025.41; (6)ACD/BCF (pH 7.4): 44025.41; (7)ACD/KOC (pH 5.5): 73374.6; (8)ACD/KOC (pH 7.4): 73374.6; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.596; (14)Molar Refractivity: 112.68 cm³; (15)Molar Volume: 331 cm³; (16)Polarizability: 44.67×10^-24cm³; (17)Surface Tension: 48.5 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 226.1 °C; (20)Enthalpy of Vaporization: 79.84 kJ/mol; (21)Boiling Point: 524.5 °C at 760 mmHg; (22)Vapour Pressure: 4.3E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: C[C@]54/C=C\C(=O)\C=C5\CC[C@@H]1[C@@H]4CC[C@]2(C)[C@H](CC[C@@H]12)OC(=O)c3ccccc3
2.InChI: InChI=1/C26H30O3/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/h3-7,12,14,16,20-23H,8-11,13,15H2,1-2H3/t20-,21-,22-,23-,25-,26-/m0/s1
3.InChIKey: QYOIZDDZJSQWGQ-IXKNJLPQBC

Product Name

17beta-hydroxyandrosta-1,4-dien-3-one benzoate

Androsta-1,4-dien-3-one,17-(benzoyloxy)-, (17β)- Specification

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