CAS No.1743-60-8,BETA-ESTRADIOL 17-ACETATE Suppliers

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Basic Information

Molecular Structure:
CAS No.:	1743-60-8
Name:	BETA-ESTRADIOL 17-ACETATE
Article Data:	3

Formula:	C₂₀H₂₆O₃
Molecular Weight:	314.425
Synonyms:	Estradiol,17-acetate (6CI,7CI,8CI);17b-Acetoxyestra-1,3,5(10)-trien-3-ol;17b-Acetylestradiol;17b-Estradiol 17-acetate;Estra-1,3,5(10)-triene-3,17b-diol 17-acetate;Estradiol17-monoacetate;b-Estradiol17-acetate;
Density:	1.18 g/cm³
Melting Point:	210 °C
Boiling Point:	450.5 °C at 760 mmHg
Flash Point:	181.9 °C
Hazard Symbols:	T
Risk Codes:	60-61
Safety:	53-45
PSA:	46.53000
LogP:	4.18000

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Specification

This chemical is called 17beta-Estradiol 17-acetate, and its IUPAC name is [(8R,9S,13S,14S,17S)-3-hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl] acetate. With the molecular formula of C₂₀H₂₆O₃, its molecular weight is 314.42. The CAS registry number of this chemical is 1743-60-8, and its product category is Steroids.

Other characteristics of the 17beta-Estradiol 17-acetate can be summarised as followings: (1)ACD/LogP: 5.03; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.03; (4)ACD/LogD (pH 7.4): 5.03; (5)ACD/BCF (pH 5.5): 3892.76; (6)ACD/BCF (pH 7.4): 3887.45; (7)ACD/KOC (pH 5.5): 12927.02; (8)ACD/KOC (pH 7.4): 12909.37; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.583; (14)Molar Refractivity: 88.75 cm³; (15)Molar Volume: 265.3 cm³; (16)Polarizability: 35.18×10^-24cm³; (17)Surface Tension: 49.2 dyne/cm; (18)Density: 1.18 g/cm³; (19)Flash Point: 181.9 °C; (20)Enthalpy of Vaporization: 73.66 kJ/mol; (21)Boiling Point: 450.5 °C at 760 mmHg; (22)Vapour Pressure: 9.88E-09 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following: This chemical may impair fertility or cause harm to the unborn child. Avoid exposure and do not obtain special instructions before use. In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.).

You can still convert the following datas into molecular structure:
1.SMILES: O=C(OC4CCC3C2C(c1ccc(O)cc1CC2)CCC34C)C
2.InChI: InChI=1/C20H26O3/c1-12(21)23-19-8-7-18-17-5-3-13-11-14(22)4-6-15(13)16(17)9-10-20(18,19)2/h4,6,11,16-19,22H,3,5,7-10H2,1-2H3
3.InChIKey: QAHOQNJVHDHYRN-UHFFFAOYAG