CAS No.848-21-5,17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one Suppliers

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Basic Information

Molecular Structure:
CAS No.:	848-21-5
Name:	17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one

Formula:	C₂₀H₂₂O₂
Molecular Weight:	294.393
Synonyms:	17a-Ethynyl-4,9,11-estratrien-17b-ol-3-one;3-Oxo-17a-ethynyl-17b-hydroxyestra-4,9,11-triene;(17β)-17-Ethynyl-17-hydroxyestra-4,9,11-trien-3-one;A 301 (steroid);NSC 101105;Ogyline;Planor;19-Norpregna-4,9,11-trien-20-yn-3-one,17-hydroxy-, (17a)-;19-Nor-17a-pregna-4,9,11-trien-20-yn-3-one,17-hydroxy- (7CI,8CI);17-Hydroxy-19-nor-17a-pregna-4,9,11-trien-20-yn-3-one;17a-Ethynyl-17-hydroxyestratrien-3-one;17a-Ethynyl-17b-hydroxy-3-oxo-4,9,11-estratriene;17a-Ethynyl-3-oxo-4,9,11-estratrien-17b-ol;
EINECS:	212-698-6
Density:	1.21 g/cm³
Melting Point:	169 °C
Boiling Point:	498.149 °C at 760 mmHg
Flash Point:	211.153 °C
PSA:	37.30000
LogP:	3.33270

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Specification

The Norgestrienone, with the CAS registry number 848-21-5, is also known as 17-Hydroxy-19-nor-17alpha-pregna-4,9,11-trien-20-yn-3-one. Its EINECS number is 212-698-6. This chemical's molecular formula is C₂₀H₂₂O₂ and molecular weight is 294.39. What's more, its systematic name is (17β)-17-Ethynyl-17-hydroxyestra-4,9,11-trien-3-one. Its classification codes are: (1)Contraceptive Agents; (2)Contraceptive Agents, Female; (3)Contraceptives, Oral; (4)Contraceptives, oral, synthetic; (5)Hormone; (6)Human Data; (7)Reproductive Control Agents; (8)Reproductive Effect. Norgestrienone is a progestogen hormone. It is a synthetic steroid with progestational and contraceptive activities.

Physical properties of Norgestrienone are: (1)ACD/LogP: 2.804; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.80; (4)ACD/LogD (pH 7.4): 2.80; (5)ACD/BCF (pH 5.5): 79.63; (6)ACD/BCF (pH 7.4): 79.63; (7)ACD/KOC (pH 5.5): 798.71; (8)ACD/KOC (pH 7.4): 798.70; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.616; (14)Molar Refractivity: 84.96 cm³; (15)Molar Volume: 243.232 cm³; (16)Polarizability: 33.681×10^-24cm³; (17)Surface Tension: 52.58 dyne/cm; (18)Density: 1.21 g/cm³; (19)Flash Point: 211.153 °C; (20)Enthalpy of Vaporization: 88.252 kJ/mol; (21)Boiling Point: 498.149 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/C(=C2/C=C\[C@]1([C@@H](CC[C@]1(C#C)O)[C@@H]2CC3)C)CC4
(2)Std. InChI: InChI=1S/C20H22O2/c1-3-20(22)11-9-18-17-6-4-13-12-14(21)5-7-15(13)16(17)8-10-19(18,20)2/h1,8,10,12,17-18,22H,4-7,9,11H2,2H3/t17-,18+,19+,20+/m1/s1
(3)Std. InChIKey: GVDMJXQHPUYPHP-FYQPLNBISA-N