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1-(Phenylsulfonyl)-3-indolylboronic acid pinacol ester - 97%, high purity , CAS No.870717-93-4

COA

Grade & Purity:

≥97%

Cas Number: 870717-93-4
Molecular Weight: 383.27
MDL number: MFCD08276778
PubChem CID: 16217945
PubChem SID: 504768302

In stock

Item Number

B177791

Grouped product items
SKU	Size	Availability	Price
B177791-250mg	250mg	3	$16.90
B177791-1g	1g	3	$50.90
B177791-5g	5g	3	$183.90
B177791-25g	25g	3	$824.90

Basic Description

Synonyms	1-(Phenylsulfonyl)-1H-indole-3-boronic Acid Pinacol Ester \| 1-(Benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole \| 1-(Phenylsulfonyl)-3-indoleboronic acid, pinacol ester \| FT-0753119 \| SY096943 \| 1-(Phenylsulfonyl)indole-3-boronic
Specifications & Purity	≥97%
Storage Temp	Store at 2-8°C
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.
Product Description	1-(Phenylsulfonyl)-3-indolylboronic acid pinacol ester can be used: In one or two key synthetic steps for the preparation of a key intermediate of lycogarubin C. To prepare 3-(4,5-dibromo-1-((2-(trimethylsilyl)ethoxy)methyl)-1H-imidazol-2-yl)-1-(phenylsulfonyl)-1H-indole, a key intermediate for the synthesis of tubulin inhibitor VERU-111 analogs.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Benzenoids
  - Class Benzene and substituted derivatives
    - Subclass Benzenesulfonamides

Kingdom	Organic compounds
Superclass	Benzenoids
Class	Benzene and substituted derivatives
Subclass	Benzenesulfonamides
Intermediate Tree Nodes	Not available
Direct Parent	Benzenesulfonamides
Alternative Parents	Benzenesulfonyl compounds Indoles Substituted pyrroles Sulfonyls Organosulfonic acids and derivatives Boronic acid esters Dioxaborolanes Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organic metalloid salts Hydrocarbon derivatives Organic oxides Organoboron compounds Organonitrogen compounds Organooxygen compounds Organopnictogen compounds
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Indole - Indole or derivatives - Benzenesulfonyl group - Substituted pyrrole - Boronic acid ester - 1,3,2-dioxaborolane - Pyrrole - Organic sulfonic acid or derivatives - Organosulfonic acid or derivatives - Sulfonyl - Heteroaromatic compound - Boronic acid derivative - Organoheterocyclic compound - Organic metalloid salt - Azacycle - Oxacycle - Organic oxygen compound - Organic nitrogen compound - Organic oxide - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organoboron compound - Organic salt - Organopnictogen compound - Hydrocarbon derivative - Aromatic heteropolycyclic compound
Description	This compound belongs to the class of organic compounds known as benzenesulfonamides. These are organic compounds containing a sulfonamide group that is S-linked to a benzene ring.
External Descriptors	Not available
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

Names and Identifiers

Pubchem Sid	504768302
Pubchem Sid Url	https://pubchem.ncbi.nlm.nih.gov/substance/504768302
IUPAC Name	1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
INCHI	InChI=1S/C20H22BNO4S/c1-19(2)20(3,4)26-21(25-19)17-14-22(18-13-9-8-12-16(17)18)27(23,24)15-10-6-5-7-11-15/h5-14H,1-4H3
InChIKey	OMZLHWZHHPAZPW-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=CC=CC=C23)S(=O)(=O)C4=CC=CC=C4
WGK Germany	3
Molecular Weight	383.27
Reaxy-Rn	20997921
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20997921&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

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Analytical Chart:

Find and download the COA for your product by matching the lot number on the packaging.

8 results found

Lot Number	Certificate Type	Date	Item
B2225365	Certificate of Analysis	Dec 10, 2024	B177791
B2225770	Certificate of Analysis	Dec 10, 2024	B177791
K2202398	Certificate of Analysis	Jul 26, 2022	B177791
K2201396	Certificate of Analysis	Jul 26, 2022	B177791
K2201336	Certificate of Analysis	Jul 26, 2022	B177791
K2201399	Certificate of Analysis	Jul 26, 2022	B177791
G1922280	Certificate of Analysis	May 07, 2022	B177791
E2424064	Certificate of Analysis	Jan 21, 2022	B177791

Chemical and Physical Properties

Melt Point(°C)	120-125°C
Molecular Weight	383.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	383.136 Da
Monoisotopic Mass	383.136 Da
Topological Polar Surface Area	65.900 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	637.000
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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