1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole

Inquiry

Molecular Formula:

C18H36N2Sn

Molecular Weight:

399.20

CAS Number:

387353-98-2

Catalog Number:

387353-98-2

Product Information

Molecular Formula:

C18H36N2Sn

Molecular Weight:

399.20

Description

1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole, a compound defined by its unique organostannane structure. This expertise is typically exemplified in its ability to act as a precursor for pharmaceutical formulations designed specifically for neurological conditions and inflammation's remediation.

Synonyms

1,3,5-Trimethyl-4-(tributylstannyl)-1H-pyrazole, 97%;

IUPAC Name

tributyl-(1,3,5-trimethylpyrazol-4-yl)stannane

Canonical SMILES

CCCC[Sn](CCCC)(CCCC)C1=C(N(N=C1C)C)C

InChI

InChI=1S/C6H9N2.3C4H9.Sn/c1-5-4-6(2)8(3)7-53*1-3-4-2/h1-3H33*1,3-4H2,2H3

InChI Key

DHOZVDFJSZWZLJ-UHFFFAOYSA-N

Flash Point

>230 °F

Purity

97%

Density

1.134 g/mL at 25 °C

Safety Information

Hazards

H301-H312-H315-H319-H372-H410

Precautionary Statement

P273-P280-P301 + P310-P305 + P351 + P338-P314-P501

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

400.190052 g/mol

Monoisotopic Mass

400.190052 g/mol

Topological Polar Surface Area

17.8Å²

Heavy Atom Count

Formal Charge

Complexity

261

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

Patents

Publication Number	Title	Priority Date
AU-2011247047-A1	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
AU-2011247047-B2	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
AU-2017202512-A1	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
AU-2017202512-B2	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
CA-2796204-A1	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
EA-028599-B1	PYRAZOLYLKHINOXALINE KINASE INHIBITORS	2010-04-30
EP-2563775-A1	Pyrazolyl quinazoline kinase inhibitors	2010-04-30
EP-2563775-B1	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
EP-3178818-A1	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30
EP-3178818-B1	Pyrazolyl quinoxaline kinase inhibitors	2010-04-30

The molarity calculator equation

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

Mass

Concentration

Volume

Molecular Weight *

Calculate

The dilution calculator equation

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

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

Concentration _(start)

Volume _(start)

Concentration _(final)

Volume _(final)