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| CAS No.: | 19608-29-8 |
|---|---|
| Name: | 17Alpha-propionate |
| Molecular Structure: | |
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| Formula: | C24H34O5 |
| Molecular Weight: | 402.531 |
| Synonyms: | 17alpha-propionate;21-Hydroxy-17-(1-oxopropoxy)pregn-4-ene-3,20-dione;CB-03-01;Cortexolone 17-alpha-propionate |
| EINECS: | 685-282-9 |
| Density: | 1.193 g/cm3 |
| Boiling Point: | 538.898 °C at 760 mmHg |
| Flash Point: | 179.292 °C |
| PSA: | 80.67000 |
| LogP: | 3.77170 |
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Specification
The 17Alpha-propionate, with CAS registry number 19608-29-8, has the systematic name of 21-hydroxy-3,20-dioxopregn-4-en-17-yl propanoate. Besides this, it is also called cortexolone 17α-propionate. And the chemical formula of this chemical is C24H34O5.
Physical properties of 17Alpha-propionate: (1)ACD/LogP: 4.00; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 5; (4)#H bond donors: 1; (5)#Freely Rotating Bonds: 6; (6)Polar Surface Area: 80.67 Å2; (7)Index of Refraction: 1.555; (8)Molar Refractivity: 108.272 cm3; (9)Molar Volume: 337.495 cm3; (10)Polarizability: 42.922×10-24cm3; (11)Surface Tension: 49.017 dyne/cm; (12)Density: 1.193 g/cm3; (13)Flash Point: 179.292 °C; (14)Enthalpy of Vaporization: 93.856 kJ/mol; (15)Boiling Point: 538.898 °C at 760 mmHg; (16)Vapour Pressure: 0 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C2/[C@]([C@H]1CC[C@@]3([C@@](OC(=O)CC)(C(=O)CO)CC[C@H]3[C@@H]1CC2)C)(C)CC4
(2)InChI: InChI=1/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
(3)InChIKey: GPNHMOZDMYNCPO-PDUMRIMRBF
(4)Std. InChI: InChI=1S/C24H34O5/c1-4-21(28)29-24(20(27)14-25)12-9-19-17-6-5-15-13-16(26)7-10-22(15,2)18(17)8-11-23(19,24)3/h13,17-19,25H,4-12,14H2,1-3H3/t17-,18+,19+,22+,23+,24+/m1/s1
(5)Std. InChIKey: GPNHMOZDMYNCPO-PDUMRIMRSA-N