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4-(3-Ethylureido)-3-methoxyphenylboronic acid, pinacol ester

4-(3-Ethylureido)-3-methoxyphenylboronic acid, pinacol ester

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Molecular Formula:

C16H25BN2O4

Molecular Weight:

320.19

Product Information

Molecular Formula:

C16H25BN2O4

Molecular Weight:

320.19

Description

4-(3-Ethylureido)-3-methoxyphenylboronic acid is a boronic acid derivative, exhibiting potent inhibitory effects against certain enzymes involved in disease progression. This compound holds promising potential in drug discovery and development, particularly for the treatment of specific cancers and inflammatory conditions.

Synonyms

1-Ethyl-3-(2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)urea; 4-(3-ETHYLUREIDO)-3-METHOXYPHENYLBORONIC ACID, PINACOL ESTER; 1-ethyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea; 4-(3-Ethylureido)-3-methoxyphenylboronic acid, pinacol ester; 4-(3-Ethylureido)-3-methoxyphenylboronic acid,pinacol ester; N-Ethyl-N'-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea;

IUPAC Name

1-ethyl-3-[2-methoxy-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]urea

Canonical SMILES

B1(OC(C(O1)(C)C)(C)C)C2=CC(=C(C=C2)NC(=O)NCC)OC

InChI

InChI=1S/C16H25BN2O4/c1-7-18-14(20)19-12-9-8-11(10-13(12)21-6)17-22-15(2,3)16(4,5)23-17/h8-10H,7H2,1-6H3,(H2,18,19,20)

InChI Key

OLBPVFHOZBPMJU-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H302

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

320.1907374 g/mol

Monoisotopic Mass

320.1907374 g/mol

Topological Polar Surface Area

68.8Å²

Heavy Atom Count

Formal Charge

Complexity

414

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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4-(3-Ethylureido)-3-methoxyphenylboronic acid, pinacol ester

Product Information

Safety Information

Computed Properties

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