CAS No.15140-27-9,estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate Suppliers

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Basic Information

Molecular Structure:
CAS No.:	15140-27-9
Name:	estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate

Formula:	C₂₅H₃₄O₃
Molecular Weight:	382.543
Synonyms:	Estra-1,3,5(10)-triene-3,17beta-diol 17-cyclohexanecarboxylate;
EINECS:	239-202-0
Density:	1.16 g/cm³
Melting Point:	174℃
Boiling Point:	522.6 °C at 760 mmHg
Flash Point:	205.4 °C
PSA:	46.53000
LogP:	5.74040

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Specification

The (3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) cyclohexanecarboxylate is an organic compound with the formula C₂₅H₃₄O₃. The IUPAC name of this chemical is (3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) cyclohexanecarboxylate. With the CAS registry number 15140-27-9, it is also named as Estradiol 17-(cyclohexanecarboxylate). Besides, its molecular weight is 382.53566.

Physical properties about (3-Hydroxy-13-methyl-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) cyclohexanecarboxylate are: (1)ACD/LogP: 7.09; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.09; (4)ACD/LogD (pH 7.4): 7.09; (5)ACD/BCF (pH 5.5): 143068.11; (6)ACD/BCF (pH 7.4): 142867.97; (7)ACD/KOC (pH 5.5): 170573.91; (8)ACD/KOC (pH 7.4): 170335.3; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 46.53 Å²; (13)Index of Refraction: 1.584; (14)Molar Refractivity: 109.84 cm³; (15)Molar Volume: 328 cm³; (16)Polarizability: 43.54×10^-24 cm³; (17)Surface Tension: 49.9 dyne/cm; (18)Density: 1.16 g/cm³; (19)Flash Point: 205.4 °C; (20)Enthalpy of Vaporization: 82.6 kJ/mol; (21)Boiling Point: 522.6 °C at 760 mmHg; (22)Vapour Pressure: 1.54E-11 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
(2)InChIKey: IVRCALGRJCHPRV-BZDYCCQFBJ
(3)Std. InChI: InChI=1S/C25H34O3/c1-25-14-13-20-19-10-8-18(26)15-17(19)7-9-21(20)22(25)11-12-23(25)28-24(27)16-5-3-2-4-6-16/h8,10,15-16,20-23,26H,2-7,9,11-14H2,1H3/t20-,21-,22+,23+,25+/m1/s1
(4)Std. InChIKey: IVRCALGRJCHPRV-BZDYCCQFSA-N