16a,17a-Epoxyprogesterone supplier

Name
16a,17a-Epoxyprogesterone
EINECS 214-147-5
CAS No. 1097-51-4
Article Data15
CAS DataBase
Density 1.18 g/cm³
Solubility
Melting Point 128 to 132oC
Formula C₂₁H₂₈O₃
Boiling Point 466.9 °C at 760 mmHg
Molecular Weight 328.452
Flash Point 204.4 °C
Transport Information
Appearance white crystalline powder
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pregn-4-ene-3,20-dione,16a,17-epoxy- (8CI);Progesterone,16a,17-epoxy- (6CI);16a,17-Epoxypregn-4-ene-3,20-dione;16a,17-Epoxyprogesterone;16a,17a-Epoxy-4-pregnene-3,20-dione;16a,17a-Oxidopregn-4-ene-3,20-dione;16a,17a-Oxidoprogesterone;NSC 18315;16a,17a-Epoxy Progesterone;
PSA 46.67000
LogP 3.85480

16a,17a-Epoxyprogesterone Specification

The systematic name of this product (16alpha)-16,17-epoxypregn-4-ene-3,20-dione CAS Registry Number 1097-51-4, it is also named as 16-alpha,17-Epoxypregn-4-ene-3,20-dione ; 16alpha,17-Epoxypregn-4-ene-3,20-dione ; Pregn-4-ene-3,20-dione, 16-alpha,17-epoxy .

The Pregn-4-ene-3,20-dione,16,17-epoxy-, (16a)- is white crystalline powder which is odorless. It is slightly soluble in hexanol , methanol and toluene . This product should be stored at the temperature of -20°C. The product's categories are biochemistry and steroids. It is used as intermediates of cortisone acetate, hydrocortisone, megestrol acetate, progesterone and other drugs.

The other characteristics of this product can be summarized as: (1)ACD/LogP: 2.73 ; (2)# of Rule of 5 Violations: 0 ; (3)ACD/LogD (pH 5.5): 2.73 ; (4)ACD/LogD (pH 7.4): 2.73 ; (5)ACD/BCF (pH 5.5): 70.32 ; (6)ACD/BCF (pH 7.4): 70.32 ; (7)ACD/KOC (pH 5.5): 730.76 ; (8)ACD/KOC (pH 7.4): 730.76 ; (9)#H bond acceptors: 3 ; (10)#H bond donors: 0 ; (11)#Freely Rotating Bonds: 1 ; (12)Index of Refraction: 1.569 ; (13)Molar Refractivity: 90.66 cm³ ; (14)Molar Volume: 276.6 cm³ ; (15)Polarizability: 35.94×10^-24 cm³ ; (16)Surface Tension: 45.6 dyne/cm ; (17)Enthalpy of Vaporization: 72.88 kJ/mol ; (18)Vapour Pressure: 6.82E-09 mmHg at 25°C ; (19)Rotatable Bond Count: 1 ; (20)Tautomer Count: 10 ; (21)Exact Mass: 328.203845 ; (22)MonoIsotopic Mass: 328.203845 ; (23)Topological Polar Surface Area: 46.7 ; (24)Heavy Atom Count: 24.

People can use the following data to convert to the molecule structure. SMILES: O=C(C)[C@]25O[C@@H]5C[C@H]1[C@H]4[C@H](CC[C@@]12C)[C@@]3(/C(=C\C(=O)CC3)CC4)C; InChI: InChI=1/C21H28O3/c1-12(22)21-18(24-21)11-17-15-5-4-13-10-14(23)6-8-19(13,2)16(15)7-9-20(17,21)3/h10,15-18H,4-9,11H2,1-3H3/t15-,16+,17+,18-,19+,20+,21-/m1/s1.

Product Name

16a,17a-Epoxyprogesterone

16a,17a-Epoxyprogesterone Specification

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