Estra-4,9-dien-3-one,17-methyl-17-(1-oxopropyl)-, (17β)- supplier

Name
PROMEGESTONE
EINECS
CAS No. 34184-77-5
Density 1.09 g/cm³
Solubility
Melting Point 152°
Formula C₂₂H₃₀O₂
Boiling Point 486.8 °C at 760 mmHg
Molecular Weight 326.479
Flash Point 180.4 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Estra-4,9-dien-3-one,17a-methyl-17-propionyl- (8CI);17,21-Dimethyl-19-nor-4,9-pregnadiene-3,20-dione;Promegestone;R 5020;RU5020;Surgestone;U 56217;
PSA 34.14000
LogP 5.17780

Estra-4,9-dien-3-one,17-methyl-17-(1-oxopropyl)-, (17β)- Specification

This chemical is called Estra-4,9-dien-3-one,17-methyl-17-(1-oxopropyl)-, (17β)-, and its systematic name is (17β)-17-methyl-17-propanoylestra-4,9-dien-3-one. With the molecular formula of C₂₂H₃₀O₂, its molecular weight is 326.47. The CAS registry number of this chemical is 34184-77-5. Additionally, its product category is Steroids.

Other characteristics of the Estra-4,9-dien-3-one,17-methyl-17-(1-oxopropyl)-, (17β)- can be summarised as followings: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1278.71; (6)ACD/BCF (pH 7.4): 1278.71; (7)ACD/KOC (pH 5.5): 5826.74; (8)ACD/KOC (pH 7.4): 5826.74; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 34.14 Å²; (13)Index of Refraction: 1.553; (14)Molar Refractivity: 95.08 cm³; (15)Molar Volume: 296.9 cm³; (16)Polarizability: 37.69×10^-24cm³; (17)Surface Tension: 42 dyne/cm; (18)Density: 1.09 g/cm³; (19)Flash Point: 180.4 °C; (20)Enthalpy of Vaporization: 75.25 kJ/mol; (21)Boiling Point: 486.8 °C at 760 mmHg; (22)Vapour Pressure: 1.26E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: O=C4\C=C2/C(=C1/CC[C@@]3([C@@](C(=O)CC)(CC[C@H]3[C@@H]1CC2)C)C)CC4
2.InChI: InChI=1/C22H30O2/c1-4-20(24)22(3)12-10-19-18-7-5-14-13-15(23)6-8-16(14)17(18)9-11-21(19,22)2/h13,18-19H,4-12H2,1-3H3/t18-,19+,21+,22-/m1/s1 3.InChIKey: QFFCYTLOTYIJMR-XMGTWHOFBR

Product Name

PROMEGESTONE

Estra-4,9-dien-3-one,17-methyl-17-(1-oxopropyl)-, (17β)- Specification

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