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2,4,6-tris-(2'-Hydroxy-4'-butoxyphenyl)-1,3,5-triazine

2,4,6-tris-(2'-Hydroxy-4'-butoxyphenyl)-1,3,5-triazine

Inquiry

Molecular Formula:

C33H39 N3 O6

CAS Number:

3135-19-1

Catalog Number:

3135-19-1

Product Information

Molecular Formula:

C33H39 N3 O6

Description

2,4,6-tris-(2'-Hydroxy-4'-butoxyphenyl)-1,3,5-triazine is a chemical compound commonly used in the biomedical industry. Acting as a potential photostabilizer, it can be used in photodynamic therapy (PDT) for diseases like cancer, enhancing the effectiveness of certain drugs.

Synonyms

2,4,6-tris-(2'-Hydroxy-4'-butoxyphenyl)-1,3,5-triazine; 2,4,6-Tris(2Hydroxy-4Butoxyphengl)-1,3,5-Triazine

IUPAC Name

2-[4,6-bis(4-butoxy-2-hydroxyphenyl)-1,3,5-triazin-2-yl]-5-butoxyphenol

Canonical SMILES

CCCCOC1=CC(=C(C=C1)C2=NC(=NC(=N2)C3=C(C=C(C=C3)OCCCC)O)C4=C(C=C(C=C4)OCCCC)O)O

InChI

InChI=1S/C33H39N3O6/c1-4-7-16-40-22-10-13-25(28(37)19-22)31-34-32(26-14-11-23(20-29(26)38)41-17-8-5-2)36-33(35-31)27-15-12-24(21-30(27)39)42-18-9-6-3/h10-15,19-21,37-39H,4-9,16-18H2,1-3H3

InChI Key

BOYPAYBWCQZOGC-UHFFFAOYSA-N

Melting Point

154 °C

Purity

>98.0%(HPLC)(N)

Appearance

White to Orange to Green powder to crystal

Computed Properties

XLogP3

7.6

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

573.28388597 g/mol

Monoisotopic Mass

573.28388597 g/mol

Topological Polar Surface Area

127Å²

Heavy Atom Count

Formal Charge

Complexity

642

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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2,4,6-tris-(2'-Hydroxy-4'-butoxyphenyl)-1,3,5-triazine

Product Information

Computed Properties

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