CAS No.7148-51-8,16,(5-ALPHA)-ANDROSTEN-3-BETA-OL Suppliers

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Basic Information

Molecular Structure:
CAS No.:	7148-51-8
Name:	16,(5-ALPHA)-ANDROSTEN-3-BETA-OL
Article Data:	27

Formula:	C₁₉H₃₀O
Molecular Weight:	274.447
Synonyms:	5a-Androst-16-en-3b-ol (6CI,7CI,8CI);3b-Hydroxy-5a-androst-16-ene;JNF 55;NSC65888;
EINECS:	214-573-1
Density:	1.037 g/cm³
Melting Point:	123-124 °C
Boiling Point:	374.1 °C at 760 mmHg
Flash Point:	156.5 °C
PSA:	20.23000
LogP:	4.55610

Synthetic route

: 18339-16-7
5α-androst-16-en-3-one

A: 7148-51-8
5α-androst-16-en-3β-ol

B: 3597-54-4, 4572-71-8, 7148-51-8, 14152-27-3, 18485-74-0, 19321-55-2, 64681-01-2, 86335-09-3, 86335-14-0, 86335-15-1, 103615-88-9, 103615-90-3, 1153-51-1
androstenol

Conditions

Conditions	Yield
With sodium tetrahydroborate In tetrahydrofuran; methanol for 2h; Ambient temperature;	A 77% B 2%
With aluminum isopropoxide; isopropyl alcohol Isolierung ueber die in wss. Aethanol schwer loesliche Verbindung mit Digitonin;
With ethanol; water; lithium tri-sec-butyl(hydrido)borate 1.) THF, r.t., 3 h; 2.) -55 deg C; Yield given. Multistep reaction. Yields of byproduct given;

: 95043-81-5
17-iodo-3β-hydroxy-5α-androstan-16-ene

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
With diethylene glycol monoethyl ether sodium salt In 1,4-dioxane at 100℃; for 92h; Reagent/catalyst; Temperature; Solvent; Inert atmosphere;	75.4%
With ethanol; sodium Heating;
With sodium In ethanol Reflux;

: 939496-37-4
16R-bromopregnane-3S,20S-diol

A: 16S,20S-epoxypregnane-3S-ol

B: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
With potassium tert-butylate In tert-butyl alcohol at 60℃; for 18h;	A 65% B 30%
With potassium tert-butylate In tert-butyl alcohol at 82℃; for 5h;	A 46% B 52%

: 481-29-8
Epiandrosterone

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
Stage #1: Epiandrosterone With toluene-4-sulfonic acid hydrazide In ethanol for 2h; Bamford-Stevens Decomposition; Reflux; Stage #2: With methyllithium In diethyl ether at 22℃; for 16.5h; Bamford-Stevens Decomposition;	29%

: 18339-16-7
5α-androst-16-en-3-one

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
With lithium aluminium tetrahydride; diethyl ether

: 18339-16-7
5α-androst-16-en-3-one

: 555-31-7
aluminum isopropoxide

: 67-63-0
isopropyl alcohol

A: 7148-51-8
5α-androst-16-en-3β-ol

B: 3597-54-4, 4572-71-8, 7148-51-8, 14152-27-3, 18485-74-0, 19321-55-2, 64681-01-2, 86335-09-3, 86335-14-0, 86335-15-1, 103615-88-9, 103615-90-3, 1153-51-1
androstenol

...Expand

: 72203-76-0
5α-androst-16-en-3β-yl acetate

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
With potassium hydroxide In methanol

: 94438-53-6
17-bromo-3β-hydroxy-5α-androstan-16-ene

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
With ethanol; sodium Heating;

: 17320-46-6
17-chloro-3β-hydroxy-5α-androstan-16-ene

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
With sodium amide In diethyl ether
With ethanol; sodium
With ethanol; sodium Heating;

: 521-18-6
Stanolone

: 7148-51-8
5α-androst-16-en-3β-ol

Conditions

Conditions	Yield
Multi-step reaction with 3 steps 1: 92 percent / pyridine / 24 h / 0 °C 2: 87 percent / toluene / 480 °C 3: 1.) lithium tris(1,2-dimethylpropyl)hydridoborate; 2.) water, ethanol / 1.) THF, r.t., 3 h; 2.) -55 deg C View Scheme

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Specification

The IUPAC name of 5alpha-Androst-16-en-3beta-ol is (3S,5S,8R,9S,10S,13R,14S)-10,13-dimethyl-2,3,4,5,6,7,8,9,11,12,14,15-dodecahydro-1H-cyclopenta[a]phenanthren-3-ol. With the CAS registry number 7148-51-8, it is also named as 16,(5-alpha)-Androsten-3-beta-ol. The product's categories are Intermediates & Fine Chemicals; Metabolites & Impurities; Pharmaceuticals; Steroids. It is a metabolite of 16-Androstene.

The other characteristics of 5alpha-Androst-16-en-3beta-ol can be summarized as: (1)ACD/LogP: 5.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.88; (4)ACD/LogD (pH 7.4): 5.88; (5)ACD/BCF (pH 5.5): 17447; (6)ACD/BCF (pH 7.4): 17447; (7)ACD/KOC (pH 5.5): 37827.77; (8)ACD/KOC (pH 7.4): 37827.77; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.54; (13)Molar Refractivity: 82.96 cm³; (14)Molar Volume: 264.4 cm³; (15)Polarizability: 32.89×10^-24 cm³; (16)Surface Tension: 41.1 dyne/cm; (17)Enthalpy of Vaporization: 71.9 kJ/mol; (18)Vapour Pressure: 4E-07 mmHg at 25°C; (19)Exact Mass: 274.229666; (20)MonoIsotopic Mass: 274.229666; (21)Topological Polar Surface Area: 20.2; (22)Heavy Atom Count: 20; (23)Complexity: 428; (24)Defined Atom StereoCenter Count: 7.

People can use the following data to convert to the molecule structure.
1. SMILES:O[C@@H]4C[C@@H]3CC[C@H]2[C@H]1[C@@](/C=C\C1)(CC[C@@H]2[C@@]3(C)CC4)C
2. InChI:InChI=1/C19H30O/c1-18-9-3-4-16(18)15-6-5-13-12-14(20)7-11-19(13,2)17(15)8-10-18/h3,9,13-17,20H,4-8,10-12H2,1-2H3/t13-,14-,15-,16-,17-,18-,19-/m0/s1
3. InChIKey:KRVXMNNRSSQZJP-LOVVWNRFBX