Testolactone supplier | CasNO.968-93-4

Name
Testolactone
EINECS 213-534-6
CAS No. 968-93-4
Article Data10
CAS DataBase
Density 1.17 g/cm³
Solubility
Melting Point 218-219oC
Formula C₁₉H₂₄O₃
Boiling Point 482 °C at 760 mmHg
Molecular Weight 300.398
Flash Point 213.4 °C
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Molecular Structure
Hazard Symbols
Synonyms 13,17-Secoandrosta-1,4-dien-17-oicacid, 13-hydroxy-3-oxo-, d-lactone (6CI,8CI);D-Homo-17a-oxaandrosta-1,4-diene-3,17-dione;Testololactone, 1-dehydro- (7CI);1,2-Dehydrotestololactone;1,2-Didehydrotestololactone;1-Dehydrotestololactone;17a-Oxa-D-homo-1,4-androstadiene-3,17-dione;2H-Phenanthro[2,1-b]pyran-2,8(4bH)-dione,3,4,4a,5,6,10a,10b,11,12,12a-decahydro-10a,12a-dimethyl-, [4aS-(4aa,4bb,10ab,10ba,12ab)]-;Testolacton;D1-Dehydrotestololactone;D1-Testololactone;
PSA
LogP

Testolactone Specification

The CAS registry number of Testolactone is 968-93-4. The IUPAC name is (4aS,4bR,10aR,10bS,12aS)-10a,12a-dimethyl-4,4a,4b,5,6,10b,11,12-octahydro-3H-naphtho[2,1-f]chromene-2,8-dione. Its EINECS registry number is 213-534-6. In addition, the molecular formula is C₁₉H₂₄O₃ and the molecular weight is 300.39. It is an antineoplastic agent that is a derivative of progesterone. And it can be used for treating various types of breast cancer in women who have been through menopause or whose ovaries no longer function.

Physical properties about Testolactone are: (1)ACD/LogP: 2.52; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 2.52; (4)ACD/LogD (pH 7.4): 2.52; (5)ACD/BCF (pH 5.5): 48.57; (6)ACD/BCF (pH 7.4): 48.57; (7)ACD/KOC (pH 5.5): 560.66; (8)ACD/KOC (pH 7.4): 560.66; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 0; (12)Polar Surface Area: 43.37 Å²; (13)Index of Refraction: 1.566; (14)Molar Refractivity: 83.36 cm³; (15)Molar Volume: 255.3 cm³; (16)Polarizability: 33.04 ×10^-24cm³; (17)Surface Tension: 45.1 dyne/cm; (18)Density: 1.17 g/cm³; (19)Flash Point: 213.4 °C; (20)Enthalpy of Vaporization: 74.68 kJ/mol; (21)Boiling Point: 482 °C at 760 mmHg; (22)Vapour Pressure: 1.89E-09 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C\1\C=C/[C@]4(/C(=C/1)CC[C@@H]2[C@@H]4CC[C@@]3(OC(=O)CC[C@@H]23)C)C
(2)InChI: InChI=1/C19H24O3/c1-18-9-7-13(20)11-12(18)3-4-14-15(18)8-10-19(2)16(14)5-6-17(21)22-19/h7,9,11,14-16H,3-6,8,10H2,1-2H3/t14-,15+,16+,18+,19+/m1/s1
(3)InChIKey: BPEWUONYVDABNZ-DZBHQSCQBA

Product Name

Testolactone

Testolactone Specification

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