Skip to the beginning of the images gallery

1-(4-Bromophenylsulfonyl)-4-propylpiperazine - 98%, high purity , CAS No.888181-08-6

COA

Grade & Purity:

≥98%

Cas Number: 888181-08-6
Molecular Weight: 347.3
PubChem CID: 3813924

In stock

Item Number

B187802

Grouped product items
SKU	Size	Availability	Price	Qty
B187802-25g	25g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,175.90
B187802-100g	100g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$3,197.90

Basic Description

Synonyms	888181-08-6 \| 1-(4-Bromophenylsulfonyl)-4-propylpiperazine \| 1-((4-Bromophenyl)sulfonyl)-4-propylpiperazine \| 1-(4-bromophenyl)sulfonyl-4-propylpiperazine \| 1-[(4-bromophenyl)sulfonyl]-4-propylpiperazine \| SCHEMBL16733908 \| DTXSID10396789 \| MFCD06029950 \| STK482365 \| AKOS0
Specifications & Purity	≥98%
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	Benzenesulfonyl compounds N-alkylpiperazines Bromobenzenes Organosulfonamides Aryl bromides Sulfonyls Trialkylamines Azacyclic compounds Organobromides Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Benzenesulfonamide - Benzenesulfonyl group - Bromobenzene - Halobenzene - N-alkylpiperazine - Aryl bromide - Aryl halide - 1,4-diazinane - Piperazine - Organosulfonic acid amide - Sulfonyl - Organosulfonic acid or derivatives - Organic sulfonic acid or derivatives - Tertiary aliphatic amine - Tertiary amine - Azacycle - Organoheterocyclic compound - Organic nitrogen compound - Organobromide - Organohalogen compound - Organic oxide - Amine - Organic oxygen compound - Organonitrogen compound - Organosulfur compound - Hydrocarbon derivative - Aromatic heteromonocyclic 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-(4-bromophenyl)sulfonyl-4-propylpiperazine
INCHI	InChI=1S/C13H19BrN2O2S/c1-2-7-15-8-10-16(11-9-15)19(17,18)13-5-3-12(14)4-6-13/h3-6H,2,7-11H2,1H3
InChIKey	ALGFRLJTFLRCKW-UHFFFAOYSA-N
Smiles	CCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br
Isomeric SMILES	CCCN1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)Br
Molecular Weight	347.3
Reaxy-Rn	44716321
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=44716321&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	347.270 g/mol
XLogP3	2.500
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	346.035 Da
Monoisotopic Mass	346.035 Da
Topological Polar Surface Area	49.000 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	367.000
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