CAS No.152-58-9,CORTEXOLONE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	152-58-9
Name:	CORTEXOLONE
Article Data:	45

Formula:	C₂₁H₃₀O₄
Molecular Weight:	346.467
Synonyms:	Compound S(6CI);11-Deoxy-17-hydrocorticosterone;11-Deoxy-17-hydroxycorticosterone;11-Deoxycortisol;11-Deoxycortisone;11-Deoxyhydrocortisone;11-Desoxy-17a-hydroxycorticosterone;Cortexolone;Cortifen;Cortisol, 11-deoxy-;Cortodoxone;NSC 18317;ReichsteinS;Reichstein's compound S;Reichstein's substance S;SKF 3050;Substance S;
EINECS:	205-805-2
Density:	1.222 g/cm³
Melting Point:	205-208 °C
Boiling Point:	524.518 °C at 760 mmHg
Flash Point:	285.097 °C
Solubility:	44.08mg/L(37 oC)
Appearance:	Crystalline solid
Hazard Symbols:	F,T
Risk Codes:	11-23/24/25-39/23/24/25
Safety:	24/25-22
PSA:	74.60000
LogP:	2.81080

Synthetic route

: 110801-53-1
(8R,9S,10R,13S,14S)-10,13-Dimethyl-17-[1-tripropylsilanyloxy-eth-(Z)-ylidene]-1,2,6,7,8,9,10,11,12,13,14,15,16,17-tetradecahydro-cyclopenta[a]phenanthren-3-one

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
With potassium hydrogencarbonate; 3-chloro-benzenecarboperoxoic acid	88%

: 640-87-9
cortexolone 21-acetate

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
With water; potassium carbonate In methanol at 20℃; for 3h; Inert atmosphere;	85%
With methanol; potassium hydrogencarbonate

: 1807-15-4
17,21-diacetoxy-4-pregnene-3,20-dione

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
With potassium hydroxide In methanol Ambient temperature;	80%
With potassium hydroxide

: C25H37BrNO2(1+)*Cl(1-)

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
With water; potassium carbonate In acetone at 20℃; for 72h; Inert atmosphere;	70%

: 20380-17-0
21-bromo-17α-hydroxy-4-pregnene-3,20-dione

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
With potassium carbonate for 0.166667h; Heating;	68%
With water; potassium carbonate In acetone at 20℃; for 0.5h; Inert atmosphere;	57%

: 640-87-9
cortexolone 21-acetate

A: 152-58-9
Cortexolone

B: 566-12-1
9α-hydroxycortexolone

Conditions

Conditions	Yield
With disodium hydrogenphosphate; potassium dihydrogenphosphate; D-glucose; menadione; corn-steep liquor In water; N,N-dimethyl-formamide at 28℃; for 40h; Rhodococcus sp.;	A 30% B 50%

: 110-86-1
pyridine

: 59005-57-1
17.20βF-dihydroxy-3-oxo-pregnen-(4)-al-(21)

: 152-58-9
Cortexolone

: 64-85-7
21-Hydroxyprogesterone

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
mit Hilfe von Trichothecium roseum;

: 64-85-7
21-Hydroxyprogesterone

A: 152-58-9
Cortexolone

B: 298-65-7
6β,21-dihydroxypregna-4-en-3,20-dione

Conditions

Conditions	Yield
mit Hilfe von Trichothecium roseum;

: 59005-57-1
17.20βF-dihydroxy-3-oxo-pregnen-(4)-al-(21)

: 152-58-9
Cortexolone

Conditions

Conditions	Yield
With pyridine

Total:70 Page 1 of 2 1 2 Next>>

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Specification

The Pregn-4-ene-3,20-dione,17,21-dihydroxy- is an organic compound with the formula C₂₁H₃₀O₄. The IUPAC name of this chemical is (8R,9S,10R,13S,14S,17R)-17-Hydroxy-17-(2-hydroxyacetyl)-10,13-dimethyl-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-one. With the CAS registry number 152-58-9, it is also named as 11-Desoxycortisol. The product's categories are Pharmaceutical Raw Materials; Steroids; Biochemistry; Hydroxyketosteroids; Intermediates and Fine Chemicals; Pharmaceuticals. Besides, it is crystalline solid, which should be stored in a sealed place. And it can be used for glucocorticoid receptor binding. This chemical can be prepared by separating extraction of Adrenal.

Physical properties about Pregn-4-ene-3,20-dione,17,21-dihydroxy- are: (1)ACD/LogP: 2.74; (2)#H bond acceptors: 4; (3)#H bond donors: 2; (4)#Freely Rotating Bonds: 4; (5)Polar Surface Area: 52.6 Å²; (6)Index of Refraction: 1.577; (7)Molar Refractivity: 94.05 cm³; (8)Molar Volume: 283.4 cm³; (9)Polarizability: 37.28×10^-24 cm³; (10)Surface Tension: 52.8 dyne/cm; (11)Density: 1.22 g/cm³; (12)Flash Point: 285.1 °C; (13)Enthalpy of Vaporization: 91.87 kJ/mol; (14)Boiling Point: 524.5 °C at 760 mmHg; (15)Vapour Pressure: 3.41E-13 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
It is toxic in contact with skin and if swallowed. Besides, this chemical is harmful if swallowed.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
(2)InChIKey: WHBHBVVOGNECLV-OBQKJFGGBG
(3)Std. InChI: InChI=1S/C21H30O4/c1-19-8-5-14(23)11-13(19)3-4-15-16(19)6-9-20(2)17(15)7-10-21(20,25)18(24)12-22/h11,15-17,22,25H,3-10,12H2,1-2H3/t15-,16+,17+,19+,20+,21+/m1/s1
(4)Std. InChIKey: WHBHBVVOGNECLV-OBQKJFGGSA-N

The toxicity data is as follows:

Organism	Test Type	Route	Reported Dose (Normalized Dose)	Effect	Source
mouse	LD50	intravenous	100mg/kg (100mg/kg)		U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#04684,