Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate

Inquiry

Molecular Formula:

C18H33NO3Sn

Molecular Weight:

430.17

CAS Number:

126085-91-4

Catalog Number:

126085-91-4

Product Information

Molecular Formula:

C18H33NO3Sn

Molecular Weight:

430.17

Description

Ethyl-5-(tributylstannyl)isoxazole-3-carboxylate (CAS# 126085-91-4) is a useful research chemical compound.

Synonyms

ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate

IUPAC Name

ethyl 5-tributylstannyl-1,2-oxazole-3-carboxylate

Canonical SMILES

CCCC[Sn](CCCC)(CCCC)C1=CC(=NO1)C(=O)OCC

InChI

InChI=1S/C6H6NO3.3C4H9.Sn/c1-2-9-6(8)5-3-4-10-7-5;3*1-3-4-2;/h3H,2H2,1H3;3*1,3-4H2,2H3;

InChI Key

LDFBGRFJCWKQCA-UHFFFAOYSA-N

Boiling Point

446.3 °C at 760 mmHg

Flash Point

199.4 °F

Purity

95 %

Density

1.209 g/cm³

Appearance

Yellow to brown viscous liquid

Refractive Index

n20/D 1.534

LogP

4.90740

Safety Information

Hazards

H301 - H312 - H315 - H319 - H372 - H410

Precautionary Statement

P273 - P280 - P301 + P310 + P330 - P302 + P352 + P312 - P305 + P351 + P338 - P314

Signal Word

Danger

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

431.148246 g/mol

Monoisotopic Mass

431.148246 g/mol

Topological Polar Surface Area

52.3Å²

Heavy Atom Count

Formal Charge

Complexity

317

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
US-2019330198-A1	Compounds and uses thereof	2018-04-25
WO-2019209962-A1	Compounds and uses thereof	2018-04-25
CN-112566636-A	Compound and use thereof	2018-04-25
EP-3784234-A1	Compounds and uses thereof	2018-04-25
US-10919885-B2	Compounds and uses thereof	2018-04-25
JP-2021522253-A	Compounds and their use	2018-04-25
US-2019367497-A1	Atf6 inhibitors and uses thereof	2018-04-06
WO-2019195810-A2	Atf6 inhibitors and uses thereof	2018-04-06
AU-2019247533-A1	ATF6 inhibitors and uses thereof	2018-04-06
CA-3096139-A1	Atf6 inhibitors and uses thereof	2018-04-06

The molarity calculator equation

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

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The dilution calculator equation

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This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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