CAS No.145-12-0,Oxymesterone Suppliers

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Basic Information

Molecular Structure:
CAS No.:	145-12-0
Name:	Oxymesterone

Formula:	C₂₀H₃₀O₃
Molecular Weight:	318.456
Synonyms:	Androst-4-en-3-one,4,17b-dihydroxy-17-methyl- (6CI,8CI);4,17b-Dihydroxy-17-methylandrost-4-en-3-one;4,17b-Dihydroxy-17a-methylandrost-4-en-3-one;4-Hydroxy-17-methyltestosterone;4-Hydroxy-17a-methyltestosterone;Anamidol;Aranabol;NSC 45048;Oranabol;Oxymesterone;Oxymestrone;Theranabol;
EINECS:	205-646-9
Density:	1.17g/cm³
Melting Point:	166-169°C
Boiling Point:	475.6°C at 760mmHg
Flash Point:	255.5°C
PSA:	57.53000
LogP:	4.15500

Synthetic route

: 2320-90-3
4.17β-Dihydroxy-17α-methyl-androstadien-(4.6)-on-(3)

: 145-12-0
oxymesterone

Conditions

Conditions	Yield
With hydrogen; palladium on activated charcoal In ethanol

: 58-18-4
17-methyltestosterone

: 145-12-0
oxymesterone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KOtBu / 2-methyl-propan-2-ol 2: H2 / Pd-C / ethanol View Scheme

: 5785-58-0
4-chloro-17α-methylandrost-4-en-17β-ol-3-one

: 145-12-0
oxymesterone

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: KOtBu / 2-methyl-propan-2-ol 2: H2 / Pd-C / ethanol View Scheme

: 108-24-7
acetic anhydride

: 145-12-0
oxymesterone

: 4-acetoxy-17β-hydroxy-17α-methylandrost-4-en-3-one

Conditions

Conditions	Yield
With dmap In dichloromethane for 18h;	86%

: 145-12-0
oxymesterone

: 17α-methyl-3,4-dioximino-5ξ-androstan-17β-ol

Conditions

Conditions	Yield
With pyridine; hydroxylamine hydrochloride for 2h; Heating;	84%

: 145-12-0
oxymesterone

A: 10455-16-0
17β-dihydroxy-17α-methyl-5α-androstan-4-one

B: 17β-dihydroxy-17α-methyl-5β-androstan-4-one

C: 13α,17β-dihydroxy-17α-methyl-5β-androstan-4-one

Conditions

Conditions	Yield
With zinc In water; acetic acid for 4h; Ambient temperature;	A n/a B 76% C 5%

...Expand

: 24589-78-4
N-methyl-N-trimethylsilyl-2,2,2-trifluoroacetamide

: 145-12-0
oxymesterone

: 145761-21-3
oxymesterone 4-TMS ether

Conditions

Conditions	Yield
In ethyl acetate at 60℃; for 0.5h;

: 145-12-0
oxymesterone

: 17,17-dimethyl-4-hydroxy-18-norandrosta-4,13-dien-3-one

Conditions

Conditions	Yield
With hydrogenchloride In acetic acid

: 145-12-0
oxymesterone

: 96966-39-1
3β,17β-Dihydroxy-17α-methyl-5α-androstanon-(4)

Conditions

Conditions	Yield
With ammonia; lithium In 1,4-dioxane; diethyl ether

: 145-12-0
oxymesterone

: 4-Hydroxy-17α-methyl-testosteron-dioxim-3,4

Conditions

Conditions	Yield
With hydroxylamine hydrochloride; potassium acetate In methanol Heating;

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Specification

The Oxymesterone, with CAS registry number of 145-12-0, has the systematic name of (17beta)-4,17-dihydroxy-17-methylandrost-4-en-3-one. And its IUPAC name is (8R,9S,10R,13S,14S,17S)-4,17-dihydroxy-10,13,17-trimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one.

Physical properties about this chemical are: (1)ACD/LogP: 3.78; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.78; (4)ACD/LogD (pH 7.4): 3.78; (5)ACD/BCF (pH 5.5): 439.47; (6)ACD/BCF (pH 7.4): 434.27; (7)ACD/KOC (pH 5.5): 2712.64; (8)ACD/KOC (pH 7.4): 2680.58; (9)#H bond acceptors: 3; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.573; (14)Molar Refractivity: 89.08 cm³; (15)Molar Volume: 270.2 cm³; (16)Polarizability: 35.31×10^-24cm³; (17)Surface Tension: 49.1 dyne/cm; (18)Enthalpy of Vaporization: 85.2 kJ/mol; (19)Vapour Pressure: 4.83E-11 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4C(\O)=C3/[C@]([C@H]2CC[C@]1([C@@H](CC[C@@]1(O)C)[C@@H]2CC3)C)(C)CC4
(2)InChI: InChI=1/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
(3)InChIKey: RXXBBHGCAXVBES-XMUHMHRVBG
(4)Std. InChI: InChI=1S/C20H30O3/c1-18-9-8-16(21)17(22)15(18)5-4-12-13(18)6-10-19(2)14(12)7-11-20(19,3)23/h12-14,22-23H,4-11H2,1-3H3/t12-,13+,14+,18-,19+,20+/m1/s1
(5)Std. InChIKey: RXXBBHGCAXVBES-XMUHMHRVSA-N