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1,3,5-Triazine,2-[2-(2-furanyl)ethenyl]-4,6-bis(trichloromethyl)-

1,3,5-Triazine,2-[2-(2-furanyl)ethenyl]-4,6-bis(trichloromethyl)-

Inquiry

Molecular Formula:

C11H5 Cl6 N3 O

Molecular Weight:

407.89

CAS Number:

154880-05-4

Catalog Number:

154880-05-4

Product Information

Molecular Formula:

C11H5 Cl6 N3 O

Molecular Weight:

407.89

Description

1,3,5-Triazine,2-[2-(2-furanyl)ethenyl]-4,6-bis(trichloromethyl)- is a versatile compound that finds extensive application in the realm of biomedicine. Its exalted efficiency in tackling a multitude of ailments, like cancer and inflammation, cannot be undermined. Possessing a fascinating and distinctive chemical configuration, it imparts immense potential in selectively targeting malignant cells, while concurrently impeding their pernicious proliferation and thwarting metastasis. Moreover, it exerts its influence by skillfully modulating pivotal inflammatory pathways, thus exhibiting notable anti-inflammatory attributes.

Synonyms

2,4-Bis(trichloromethyl)-6-[2-(furan-2-yl)vinyl]-1,3,5-triazine

IUPAC Name

2-[(E)-2-(furan-2-yl)ethenyl]-4,6-bis(trichloromethyl)-1,3,5-triazine

Canonical SMILES

C1=COC(=C1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C11H5Cl6N3O/c12-10(13,14)8-18-7(4-3-6-2-1-5-21-6)19-9(20-8)11(15,16)17/h1-5H/b4-3+

InChI Key

PNDRGJCVJPHPOZ-ONEGZZNKSA-N

Melting Point

142 °C

Purity

98.0%

Appearance

Light orange to Yellow to Green powder to crystal

Computed Properties

XLogP3

4.7

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

406.853428 g/mol

Monoisotopic Mass

404.856378 g/mol

Topological Polar Surface Area

51.8Å²

Heavy Atom Count

Formal Charge

Complexity

361

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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1,3,5-Triazine,2-[2-(2-furanyl)ethenyl]-4,6-bis(trichloromethyl)-

Product Information

Computed Properties

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