Deprodone supplier | CasNO.20423-99-8

Name
Deprodone
EINECS 243-809-6
CAS No. 20423-99-8
Article Data10
CAS DataBase
Density 1.24 g/cm³
Solubility
Melting Point
Formula C₂₁H₂₈O₄
Boiling Point 527.3 °C at 760 mmHg
Molecular Weight 344.451
Flash Point 286.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Pregna-1,4-diene-3,20-dione,11b,17-dihydroxy- (7CI,8CI);21-Deoxyprednisolone;
PSA 80.67000
LogP 3.54610

Deprodone Specification

The Deprodone, with the CAS registry number 20423-99-8, is also known as 11,17-Dihydroxypregna-1,4-diene-3,20-dione. Its EINECS registry number is 243-809-6. This chemical's molecular formula is C₂₁H₂₈O₄ and molecular weight is 344.44. Its IUPAC name is called 17-acetyl-11,17-dihydroxy-10,13-dimethyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-3-one.

Physical properties of Deprodone: (1)ACD/LogP: 1.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2; (4)ACD/LogD (pH 7.4): 2; (5)ACD/BCF (pH 5.5): 10; (6)ACD/BCF (pH 7.4): 10; (7)ACD/KOC (pH 5.5): 187; (8)ACD/KOC (pH 7.4): 187; (9)#H bond acceptors: 4; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.593; (13)Molar Refractivity: 93.944 cm³; (14)Molar Volume: 277.375 cm³; (15)Surface Tension: 53.41 dyne/cm; (16)Density: 1.242 g/cm³; (17)Flash Point: 286.785 °C; (18)Enthalpy of Vaporization: 92.251 kJ/mol; (19)Boiling Point: 527.312 °C at 760 mmHg; (20)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(=O)C1(CCC2C1(CC(C3C2CCC4=CC(=O)C=CC34C)O)C)O
(2)InChI: InChI=1S/C21H28O4/c1-12(22)21(25)9-7-16-15-5-4-13-10-14(23)6-8-19(13,2)18(15)17(24)11-20(16,21)3/h6,8,10,15-18,24-25H,4-5,7,9,11H2,1-3H3
(3)InChIKey: KQZSMOGWYFPKCH-UHFFFAOYSA-N

Product Name

Deprodone

Deprodone Specification

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