Methandriol dipropionate supplier

Name
Methandriol dipropionate
EINECS 222-735-8
CAS No. 3593-85-9
Density 1.09 g/cm³
Solubility
Melting Point 35-36°C
Formula C₂₆H₄₀O₄
Boiling Point 479.139 °C at 760 mmHg
Molecular Weight 416.601
Flash Point 227.952 °C
Transport Information
Appearance
Safety 36/37
Risk Codes 40
Molecular Structure
Hazard Symbols Xn
Synonyms NSC 26644;Probolin;
PSA 52.60000
LogP 5.98290

Synthetic route

: 521-10-8
methylandrostenediol

: 123-62-6
propionic acid anhydride

: 3593-85-9
methandriol dipropionate

Conditions

Conditions	Yield
at 130 - 140℃;

: 3593-85-9
methandriol dipropionate

: 35800-60-3
propionic acid-(3β-hydroxy-17α-methyl-androsten-(5)-yl-(17β)-ester)

Conditions

Conditions	Yield
With potassium hydroxide Hydrolysis;

: 3593-85-9
methandriol dipropionate

: 7600-58-0
17α-methyl-17β-propionyloxy-androst-4-en-3-one

Conditions

Conditions	Yield
Multi-step reaction with 2 steps 1: methanol. KOH / Hydrolysis 2: bromine; aqueous acetic acid; CrO3 / Reagens 4:Aether;Behandeln des Reaktionsprodukts mit Zink-Pulver und Essigsaeure View Scheme

Methandriol dipropionate Specification

The Methandriol dipropionate is steroid with the formula C₂₆H₄₀O₄. The IUPAC name of this chemical is [(3S,8R,9S,10R,13S,14S,17S)-10,13,17-trimethyl-17-propanoyloxy-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-3-yl]propanoate. With the CAS registry number 3593-85-9, it is also named as Androst-5-ene-3,17-diol, 17-methyl-, dipropanoate, (3beta,17beta)- (9CI). This chemical must be sealed in the container and avoided direct sunshine.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 7.32; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.32; (4)ACD/LogD (pH 7.4): 7.32; (5)#H bond acceptors: 4; (6)#H bond donors: 0; (7)#Freely Rotating Bonds: 6; (8)Index of Refraction: 1.527; (9)Molar Refractivity: 117.59 cm³; (10)Molar Volume: 382.2 cm³; (11)Polarizability: 46.62×10^-24 cm³; (12)Surface Tension: 41.3 dyne/cm; (13)Enthalpy of Vaporization: 74.34 kJ/mol; (14)Vapour Pressure: 2.42E-09 mmHg at 25°C; (15)Rotatable Bond Count: 6; (16)Exact Mass: 416.29266; (17)MonoIsotopic Mass: 416.29266; (18)Topological Polar Surface Area: 52.6; (19)Heavy Atom Count: 30; (20)Complexity: 741; (21)Defined Atom StereoCenter Count: 7.

People can use the following data to convert to the molecule structure.
1. SMILES:O=C(O[C@@H]4C/C3=C/C[C@@H]2[C@H](CC[C@]1([C@H]2CC[C@@]1(OC(=O)CC)C)C)[C@@]3(C)CC4)CC
2. InChI:InChI=1/C26H40O4/c1-6-22(27)29-18-10-13-24(3)17(16-18)8-9-19-20(24)11-14-25(4)21(19)12-15-26(25,5)30-23(28)7-2/h8,18-21H,6-7,9-16H2,1-5H3/t18-,19+,20-,21-,24-,25-,26-/m0/s1.

Product Name

Methandriol dipropionate

Synthetic route

Methandriol dipropionate Specification

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