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968-93-4

Basic Information
CAS No.: 968-93-4
Name: Testolactone
Article Data: 10
Molecular Structure:
Molecular Structure of 968-93-4 (Testolactone)
Formula: C19H24O3
Molecular Weight: 300.398
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;
EINECS: 213-534-6
Density: 1.17 g/cm3
Melting Point: 218-219oC
Boiling Point: 482 °C at 760 mmHg
Flash Point: 213.4 °C
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  • factory supply Testolactone

  • Casno:

    968-93-4

    factory supply Testolactone

    Min.Order: 1 Kilogram

    FOB Price:  USD $ 0.0-0.0

    Appearance:white powder Storage:Keep in a cool and dry place Package:aluminium foil bag, carbon box or as your request. Application:Use for parmaceutical intermediates or chemical reaserch Transportation:DHL, FEDEX,EMS.. Port:shang

    qingdao chuangnuo medical technology co., ltd ?is engaging in researching, developing, manufacturing and exporting advanced pharmaceutical intermediates and Active Pharmaceutical I

  • qingdao chuangnuo medical technology co., ltd

     China (Mainland)  |  Contact Details

    Business Type:Lab/Research institutions

    Tel:15632789303

    Address:qingdao, shandong

       Inquiry Now

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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