Ethyl 2-(5,5-Dimethyl-1,3,2-dioxaborinan-2-yl)benzoate - ≥96% , CAS No.346656-34-6

CAS: 346656-34-6 Cat. No.: E156071 Molecular Weight: 262.11

GRADE & PURITY ≥96%

Synonyms

T72340 | AKOS015842265 | Ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate | J-019696 | SCHEMBL5892462 | FT-0644473 | A822338 | MFCD08276372 | 2-(2-Carbethoxyphenyl)-5,5-dimethyl-1,3,2-dioxaborinane | DTXSID50438293 | HY-23524 | AS-69587 | 2-(2-(1-(t

Storage

Store at 2-8°C

Shipped In

Wet ice

Overview

Product Describtion:

HSL-IN-3 (example 42), a boronic acid ester derivative, is an inhibitor of hormone-sensitive lipase (HSL).

Specifications

Synonyms

T72340 | AKOS015842265 | Ethyl 2-(5, 5-dimethyl-1, 3, 2-dioxaborinan-2-yl)benzoate | J-019696 | SCHEMBL5892462 | FT-0644473 | A822338 | MFCD08276372 | 2-(2-Carbethoxyphenyl)-5, 5-dimethyl-1, 3, 2-dioxaborinane | DTXSID50438293 | HY-23524 | AS-69587 | 2-(2-(1-(t

Specifications & Purity

≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Action Type

INHIBITOR

Purity

≥96%

Names and Identifiers

• Pubchem Sid: 504765402
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765402
• Canonical Smiles: B1(OCC(CO1)(C)C)C2=CC=CC=C2C(=O)OCC
• IUPAC Name: ethyl 2-(5,5-dimethyl-1,3,2-dioxaborinan-2-yl)benzoate
• InChIKey: GZHASWCTAWNFFW-UHFFFAOYSA-N
• INCHI: 1S/C14H19BO4/c1-4-17-13(16)11-7-5-6-8-12(11)15-18-9-14(2,3)10-19-15/h5-8H,4,9-10H2,1-3H3
• Isomeric SMILES: B1(OCC(CO1)(C)C)C2=CC=CC=C2C(=O)OCC
• Molecular Weight: 262.11
• Reaxy-Rn: 8772576
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=8772576&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Class Benzene and substituted derivatives
      • Subclass Benzoic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Class: Benzene and substituted derivatives
• Subclass: Benzoic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Benzoic acid esters
• Alternative Parents: Benzoyl derivatives Boronic acid esters Carboxylic acid esters Oxacyclic compounds Organic metalloid salts Organooxygen compounds Organometalloid compounds Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Benzoate ester - Benzoyl - Boronic acid ester - Carboxylic acid ester - Boronic acid derivative - Oxacycle - Organic metalloid salt - Organoheterocyclic compound - Carboxylic acid derivative - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organic metalloid moeity - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as benzoic acid esters. These are ester derivatives of benzoic acid.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Chemical and Physical Properties

• Sensitivity: Heat Sensitive
• Refractive Index: 1.51
• Molecular Weight: 262.110 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 262.138 Da
• Monoisotopic Mass: 262.138 Da
• Topological Polar Surface Area: 44.800 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 309.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

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