18-Methyl-estrone supplier | CasNO.6544-68-9

Name
18-Methyl-estrone
EINECS
CAS No. 6544-68-9
Article Data13
CAS DataBase
Density 1.138 g/cm³
Solubility
Melting Point 255 °C(Solv: acetone (67-64-1))
Formula C₁₉H₂₄O₂
Boiling Point 456.2 °C at 760 mmHg
Molecular Weight 284.398
Flash Point 194.3 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 18a-Homoestrone;18a-Methylestrone;3-Hydroxy-13-ethylgona-1,3,5(10)-trien-17-one;
PSA 37.30000
LogP 4.20750

18-Methyl-estrone Specification

The 18-Methyl-estrone with the CAS number 6544-68-9 is also called Gona-1,3,5(10)-trien-17-one,13-ethyl-3-hydroxy-. The systematic name is (8R,9S,13S,14S)-13-ethyl-3-hydroxy-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-one. Its molecular formula is C₁₉H₂₄O₂. This chemical should be stored in dry and cool environment.

The properties of the 18-Methyl-estrone are: (1)ACD/LogP: 4.22; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.22; (4)ACD/LogD (pH 7.4): 4.22; (5)ACD/BCF (pH 5.5): 947.65; (6)ACD/BCF (pH 7.4): 946.33; (7)ACD/KOC (pH 5.5): 4701.99; (8)ACD/KOC (pH 7.4): 4695.44; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 37.3 Å²; (13)Index of Refraction: 1.576; (14)Molar Refractivity: 82.66 cm³; (15)Molar Volume: 249.7 cm³; (16)Polarizability: 32.77×10^-24cm³; (17)Surface Tension: 44.4 dyne/cm; (18)Enthalpy of Vaporization: 74.36 kJ/mol; (19)Vapour Pressure: 6.08×10^-9 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CC[C@]12CC[C@@H]3c4ccc(cc4CC[C@H]3[C@@H]1CCC2=O)O
(2)InChI: InChI=1/C19H24O2/c1-2-19-10-9-15-14-6-4-13(20)11-12(14)3-5-16(15)17(19)7-8-18(19)21/h4,6,11,15-17,20H,2-3,5,7-10H2,1H3/t15-,16-,17+,19+/m1/s1
(3)InChIKey: NQPGPSTYXRSFID-VXNCWWDNBZ

Product Name

18-Methyl-estrone

18-Methyl-estrone Specification

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