6-Bronmandrostenedione supplier

Name
(6b)-6-Bromoandrost-4-ene-3,17-dione
EINECS 1592732-453-0
CAS No. 38632-00-7
Article Data9
CAS DataBase
Density 1.35 g/cm³
Solubility
Melting Point 158-163°C (dec.)
Formula C₁₉H₂₅BrO₂
Boiling Point 467 °C at 760 mmHg
Molecular Weight 365.31
Flash Point 100.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Androst-4-ene-3,17-dione,6b-bromo- (7CI);6b-Bromoandrost-4-ene-3,17-dione;6b-Bromoandrostenedione;
PSA 34.14000
LogP 4.46080

6-Bronmandrostenedione Specification

The 6-Bromoandrostenedione is an aromatase inhibitor with the formula C₁₉H₂₅BrO₂. The IUPAC name of this chemical is (6R,8R,9S,10R,13S,14S)-6-bromo-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3,17-dione. With the CAS registry number 38632-00-7, it is also named as Androst-4-ene-3,17-dione, 6-bromo-, (6beta)-. In addition, the molecular weight is 365.30.

The other characteristics of 6-Bromoandrostenedione can be summarized as: (1)ACD/LogP: 3.03; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.03; (4)ACD/LogD (pH 7.4): 3.03; (5)ACD/BCF (pH 5.5): 118.46; (6)ACD/BCF (pH 7.4): 118.46; (7)ACD/KOC (pH 5.5): 1061.37; (8)ACD/KOC (pH 7.4): 1061.37; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.577; (14)Molar Refractivity: 89.42 cm³; (15)Molar Volume: 269.7 cm³; (16)Surface Tension: 46.5 dyne/cm; (17)Enthalpy of Vaporization: 72.89 kJ/mol; (18)Vapour Pressure: 6.77E-09 mmHg at 25°C; (19)Tautomer Count: 4; (20)Exact Mass: 364.103793; (21)MonoIsotopic Mass: 364.103793; (22)Topological Polar Surface Area: 34.1; (23)Heavy Atom Count: 22; (24)Complexity: 580.

People can use the following data to convert to the molecule structure.
1. SMILES:Br[C@H]4/C1=C/C(=O)CC[C@@]1([C@H]3CC[C@@]2(C(=O)CC[C@H]2[C@@H]3C4)C)C
2. InChI:InChI=1/C19H25BrO2/c1-18-7-5-11(21)9-15(18)16(20)10-12-13-3-4-17(22)19(13,2)8-6-14(12)18/h9,12-14,16H,3-8,10H2,1-2H3/t12-,13-,14-,16+,18+,19-/m0/s1
3. InChIKey:HAWQRBIGKRAICT-DQXCSHPPBU

Product Name

(6b)-6-Bromoandrost-4-ene-3,17-dione

6-Bronmandrostenedione Specification

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