Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
Pregna-4,11-diene-3,20-dione |
EINECS | N/A |
CAS No. | 2625-60-7 | Density | 1.1 g/cm3 |
PSA | 34.14000 | LogP | 4.49950 |
Solubility | N/A | Melting Point |
N/A |
Formula | C21H28O2 | Boiling Point | 451.5 °C at 760 mmHg |
Molecular Weight | 312.452 | Flash Point | 168.2 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
11-Dehydroprogesterone; |
Article Data | 10 |
The Pregna-4,11-diene-3,20-dione, with the CAS registry number 2625-60-7, is also known as 11-Dehydroprogesterone. This chemical's molecular formula is C21H28O2 and molecular weight is 312.45. What's more, its IUPAC name is (8S,9S,10R,13S,14S,17S)-17-acetyl-10,13-dimethyl-1,2,6,7,8,9,14,15,16,17-decahydrocyclopenta[a]phenanthren-3-one. Its classification code is Mutation data.
Physical properties of Pregna-4,11-diene-3,20-dione are: (1)ACD/LogP: 3.79; (2)# of Rule of 5 Violations: 0; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 1; (6)Polar Surface Area: 34.14 Å2; (7)Index of Refraction: 1.556; (8)Molar Refractivity: 90.86 cm3; (9)Molar Volume: 282.2 cm3; (10)Polarizability: 36.02×10-24cm3; (11)Surface Tension: 42.2 dyne/cm; (12)Density: 1.1 g/cm3; (13)Flash Point: 168.2 °C; (14)Enthalpy of Vaporization: 71.05 kJ/mol; (15)Boiling Point: 451.5 °C at 760 mmHg; (16)Vapour Pressure: 2.43E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C4\C=C3/[C@]([C@H]2\C=C/[C@@]1([C@@H](C(=O)C)CC[C@H]1[C@@H]2CC3)C)(C)CC4
(2)Std. InChI: InChI=1S/C21H28O2/c1-13(22)17-6-7-18-16-5-4-14-12-15(23)8-10-20(14,2)19(16)9-11-21(17,18)3/h9,11-12,16-19H,4-8,10H2,1-3H3/t16-,17+,18-,19-,20-,21+/m0/s1
(3)Std. InChIKey: XMUAORABVRJUDU-LEKSSAKUSA-N