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2-[2-(5-METHYLFURAN-2-YL)VINYL]-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE

2-[2-(5-METHYLFURAN-2-YL)VINYL]-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE

Inquiry

Molecular Formula:

C12H7Cl6N3O

Molecular Weight:

421.92

CAS Number:

156360-76-8

Catalog Number:

156360-76-8

Product Information

Molecular Formula:

C12H7Cl6N3O

Molecular Weight:

421.92

Description

2-[2-(5-METHYLFURAN-2-YL)VINYL]-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE is an indispensible therapeutic agent in oncology and showcases remarkable potency as a biomedically utilized antitumor drug. Renowned for its trichloromethyl and triazine moieties, this compound demonstrates profound efficacy in impeding the progression and propagation of diverse cancers, notably breast cancer, lung cancer, and colorectal cancer. Its formidable inhibitory properties in tumor growth render it a paramount component in the biomedical industry's arsenal against malignancies.

Synonyms

2,4-BIS(TRICHLOROMETHYL)-6-[2-(5-METHYLFURAN-2-YL)VINYL]-1,3,5-TRIAZINE; 2-[2-(5-METHYLFURAN-2-YL)VINYL]-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE; Methylfuranylvinylbistrichloromethyltriazin; 2-[2-(5-Methylfuran-2-yl)vinyl]-4,6-bis(trichloromethy)-1,3,5-tria

IUPAC Name

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

Canonical SMILES

CC1=CC=C(O1)C=CC2=NC(=NC(=N2)C(Cl)(Cl)Cl)C(Cl)(Cl)Cl

InChI

InChI=1S/C12H7Cl6N3O/c1-6-2-3-7(22-6)4-5-8-19-9(11(13,14)15)21-10(20-8)12(16,17)18/h2-5H,1H3/b5-4+

InChI Key

XOPKKHCDIAYUSK-SNAWJCMRSA-N

Melting Point

156 °C

Purity

>85.0%(T)(HPLC)

Appearance

Light yellow to Brown powder to crystal

Computed Properties

XLogP3

5.1

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

420.869078 g/mol

Monoisotopic Mass

418.872028 g/mol

Topological Polar Surface Area

51.8Å²

Heavy Atom Count

Formal Charge

Complexity

389

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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2-[2-(5-METHYLFURAN-2-YL)VINYL]-4,6-BIS(TRICHLOROMETHYL)-1,3,5-TRIAZINE

Product Information

Computed Properties

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