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2,2,2-Trifluoro-1-(4-(5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl)piperazin-1-yl)ethanone - ≥98%, high purity , CAS No.1218789-87-7

COA

Grade & Purity:

≥98%

Cas Number: 1218789-87-7
Molecular Weight: 385.2
PubChem CID: 46739796

In stock

Item Number

T736362

Grouped product items
SKU	Size	Availability	Price
T736362-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$155.90
T736362-1g	1g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$422.90
T736362-5g	5g	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$1,267.90

Basic Description

Specifications & Purity	≥98%
Storage Temp	Store at 2-8°C,Desiccated
Shipped In	Wet ice This product requires cold chain shipping. Ground and other economy services are not available.

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Diazinanes
    - Subclass Piperazines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Diazinanes
Subclass	Piperazines
Intermediate Tree Nodes	Not available
Direct Parent	Pyridinylpiperazines
Alternative Parents	N-arylpiperazines Dialkylarylamines Aminopyridines and derivatives Imidolactams Tertiary carboxylic acid amides Boronic acid esters Heteroaromatic compounds Dioxaborolanes Amino acids and derivatives Oxacyclic compounds Azacyclic compounds Organic metalloid salts Carbonyl compounds Hydrocarbon derivatives Organic oxides Organofluorides Organometalloid compounds Alkyl fluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Pyridinylpiperazine - N-arylpiperazine - Dialkylarylamine - Aminopyridine - Imidolactam - Pyridine - Boronic acid ester - Heteroaromatic compound - 1,3,2-dioxaborolane - Tertiary carboxylic acid amide - Tertiary amine - Amino acid or derivatives - Carboxamide group - Boronic acid derivative - Oxacycle - Azacycle - Organic metalloid salt - Carboxylic acid derivative - Alkyl fluoride - Organic metalloid moeity - Organohalogen compound - Organofluoride - Organonitrogen compound - Organooxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Organic nitrogen compound - Amine - Alkyl halide - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as pyridinylpiperazines. These are compounds containing a pyridinylpiperazine skeleton, which consists of a pyridine linked (not fused) to a piperazine by a bond by a single bond that is not part of a 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	2,2,2-trifluoro-1-[4-[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-yl]piperazin-1-yl]ethanone
INCHI	InChI=1S/C17H23BF3N3O3/c1-15(2)16(3,4)27-18(26-15)12-5-6-13(22-11-12)23-7-9-24(10-8-23)14(25)17(19,20)21/h5-6,11H,7-10H2,1-4H3
InChIKey	VWUMYQIQIXOMIA-UHFFFAOYSA-N
Smiles	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C(F)(F)F
Isomeric SMILES	B1(OC(C(O1)(C)C)(C)C)C2=CN=C(C=C2)N3CCN(CC3)C(=O)C(F)(F)F
PubChem CID	46739796
Molecular Weight	385.2

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

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

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	385.200 g/mol
XLogP3
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	2
Exact Mass	385.178 Da
Monoisotopic Mass	385.178 Da
Topological Polar Surface Area	54.900 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	549.000
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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