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1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine - 97%, high purity , CAS No.1174038-65-3

COA

Grade & Purity:

≥97%

Cas Number: 1174038-65-3
Molecular Weight: 384.26
PubChem CID: 59581266

In stock

Item Number

B172313

Grouped product items
SKU	Size	Availability	Price	Qty
B172313-500mg	500mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,503.90

Discover 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine by Aladdin Scientific in 97% for only $3,503.90. Available - in Ligands at Aladdin Scientific. Tags: .

Basic Description

Synonyms	1174038-65-3 \| 1-(Phenylsulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyridine \| 1-(Phenylsulfonyl)-6-azaindole-3-boronic acid pinacol ester \| 1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrolo[2,3-c]pyri
Specifications & Purity	≥97%
Storage Temp	Room temperature
Shipped In	Normal

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	Pyrrolopyridines Benzenesulfonyl compounds Substituted pyrroles Pyridines and derivatives Sulfonyls Organosulfonic acids and derivatives Boronic acid esters Dioxaborolanes Heteroaromatic compounds Azacyclic compounds Oxacyclic compounds Organic metalloid salts Organometalloid compounds Organonitrogen compounds Hydrocarbon derivatives Organooxygen compounds Organic oxides
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Pyrrolopyridine - Pyridine - Substituted pyrrole - Boronic acid ester - 1,3,2-dioxaborolane - Heteroaromatic compound - Pyrrole - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Organoheterocyclic compound - Organosulfur compound - Organooxygen compound - Organonitrogen compound - Organic metalloid moeity - Hydrocarbon derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - 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

IUPAC Name	1-(benzenesulfonyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-c]pyridine
INCHI	InChI=1S/C19H21BN2O4S/c1-18(2)19(3,4)26-20(25-18)16-13-22(17-12-21-11-10-15(16)17)27(23,24)14-8-6-5-7-9-14/h5-13H,1-4H3
InChIKey	SJMCOYBODYTHEO-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CN=C3)S(=O)(=O)C4=CC=CC=C4
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN(C3=C2C=CN=C3)S(=O)(=O)C4=CC=CC=C4
Molecular Weight	384.26
Reaxy-Rn	20889007
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=20889007&ln=

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

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	384.300 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	384.132 Da
Monoisotopic Mass	384.132 Da
Topological Polar Surface Area	78.800 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	641.000
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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