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501948-05-6

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Basic Information
CAS No.: 501948-05-6
Name: 3-[(4-Cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-alpha-oxo-1-indolizineacetamide
Article Data: 2
Molecular Structure:
Molecular Structure of 501948-05-6 (3-[(4-Cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-alpha-oxo-1-indolizineacetamide)
Formula: C22H16N4O2S
Molecular Weight: 400.45
Synonyms: Rosabulin;STA 5312;2-[3-(4-cyanobenzyl)indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide;
Density: 1.345 g/cm3
Melting Point: 233 °C
PSA: 115.50000
LogP: 4.06108
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  • 1-Indolizineacetamide,3-[(4-cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-a-oxo-

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    1-Indolizineacetamide,3-[(4-cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-a-oxo-

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    hight degree of purity Application:Fine chemical intermediates, used as the main raw material for dhe synthesis of various pesticides, medicines, surfactants, polymer monomers, ond ontifungal agents

    Antimex Chemical Limied, was founded in 2001, we are specializing in manufacturing & researching of Active pharmaceutical Ingredients,Veterinary pharm APIs,cosmetic ingredients,and

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    Rosabulinwith factory price

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    Wuhan Sun-shine Bio-technology Corporation Limited is specializing in the anticancer, antitumor,heart head blood-vessel，pharmaceutical intermediates，fine Chemicals production and customization. Company has strong ability of research and development

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  • Rosabulin

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    Rosabulin

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    Debyesci is here who supplied several kinds of chemical products to global pharmaceutical, drug discovery, agrochemical and biotechnology industries for four yearsOur key scientific leadership team has gained experience in top research and developmen

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Specification

The Rosabulin with the CAS number 501948-05-6 is also called 1-Indolizineacetamide,3-[(4-cyanophenyl)methyl]-N-(3-methyl-5-isothiazolyl)-a-oxo-. The IUPAC name is 2-[3-[(4-cyanophenyl)methyl]indolizin-1-yl]-N-(3-methyl-1,2-thiazol-5-yl)-2-oxoacetamide. Its molecular formula is C22H16N4O2S. The classification code is Treatment of therapeutic resistant cancers.

The properties of the Rosabulin are: (1)ACD/LogP: 3.18; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3; (4)ACD/LogD (pH 7.4): 3; (5)ACD/BCF (pH 5.5): 111; (6)ACD/BCF (pH 7.4): 115; (7)ACD/KOC (pH 5.5): 941; (8)ACD/KOC (pH 7.4): 974; (9)#H bond acceptors: 6; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 115.5 Å2; (13)Index of Refraction: 1.7; (14)Molar Refractivity: 115.05 cm3; (15)Molar Volume: 297.689 cm3; (16)Polarizability: 45.609×10-24cm3; (17)Surface Tension: 57.213 dyne/cm.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Nc1snc(c1)C)C(=O)c3cc(n2ccccc23)Cc4ccc(C#N)cc4
(2)InChI: InChI=1/C22H16N4O2S/c1-14-10-20(29-25-14)24-22(28)21(27)18-12-17(26-9-3-2-4-19(18)26)11-15-5-7-16(13-23)8-6-15/h2-10,12H,11H2,1H3,(H,24,28)
(3)InChIKey: IZZYUABKZYIINT-UHFFFAOYAF