Skip to the beginning of the images gallery

7-bromo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine - 97%, high purity , CAS No.1818847-41-4

COA

Grade & Purity:

≥97%

Cas Number: 1818847-41-4
Molecular Weight: 352.206
PubChem CID: 118998411

In stock

Item Number

B175193

Grouped product items
SKU	Size	Availability	Price	Qty
B175193-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,752.90

Basic Description

Synonyms	7-Bromo-5-(4-methylbenzenesulfonyl)-5H-pyrrolo[2,3-b]pyrazine \| 1818847-41-4 \| 7-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine \| 7-Bromo-5-tosyl-5H-pyrrolo[2,3-b]pyrazine \| SCHEMBL20111657 \| DTXSID401179888 \| AMY35118 \| MFCD29060194 \| AKOS027337259 \| SB40612 \| AS-52
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	Pyrrolopyrazines Substituted pyrroles Pyrazines Sulfonyls Secondary ketimines Pyrrolines Organosulfonic acids and derivatives Heteroaromatic compounds Vinyl bromides Propargyl-type 1,3-dipolar organic compounds Bromoalkenes Azacyclic compounds Amidines Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteropolycyclic compounds
Substituents	Benzenesulfonamide - Pyrrolopyrazine - Substituted pyrrole - Pyrazine - Heteroaromatic compound - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Secondary ketimine - Pyrroline - Pyrrole - Ketimine - Azacycle - Bromoalkene - Haloalkene - Organoheterocyclic compound - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl bromide - Amidine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organosulfur compound - Organonitrogen compound - Organobromide - Organohalogen compound - Imine - 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	7-bromo-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
INCHI	InChI=1S/C13H10BrN3O2S/c1-9-2-4-10(5-3-9)20(18,19)17-8-11(14)12-13(17)16-7-6-15-12/h2-8H,1H3
InChIKey	RZIHFWIVUHARMG-UHFFFAOYSA-N
Smiles	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=NC=CN=C32)Br
Isomeric SMILES	CC1=CC=C(C=C1)S(=O)(=O)N2C=C(C3=NC=CN=C32)Br
Molecular Weight	352.206
Reaxy-Rn	32766933
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=32766933&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	352.210 g/mol
XLogP3	2.600
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	350.968 Da
Monoisotopic Mass	350.968 Da
Topological Polar Surface Area	73.200 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	445.000
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

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration