(E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,… 220352-29-4

Name: (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one
Brand: Vaqora Chemicals
SKU: VQ-034239

About (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one

Listed under CAS 220352-29-4, (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one is an impurity of Ticagrelor available from Vaqora Chemicals. The compound has the formula C19H21F2NO3S, corresponding to a molecular weight of 381.4 g/mol.

The product is provided as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. Good laboratory practice and suitable PPE are recommended during handling.

This Ticagrelor impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide. A Safety Data Sheet (SDS) and technical specifications are available on request.

Typical applications

Analytical method development
Method validation (AMV)
QC release testing
ANDA / DMF filings

Industries

Related to Ticagrelor

View every impurity, metabolite and intermediate we list for Ticagrelor.

Ticagrelor impurities

Specifications & identifiers

Chemical identifiers
Product name	(E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one
Catalogue No.	VQ-034239
CAS Number	220352-29-4
IUPAC name	(E)-3-(3,4-difluorophenyl)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]prop-2-en-1-one
Molecular formula	C₁₉H₂₁F₂NO₃S
Molecular weight	381.4 g/mol
Exact mass	381.121
Grade	Reference Standard
HSN code	38229090
InChIKey	RSZFNQMNZSXXIE-NALRDDBRSA-N
SMILES	CC1([C@@H]2CC[C@]13CS(=O)(=O)N([C@@H]3C2)C(=O)/C=C/C4=CC(=C(C=C4)F)F)C
PubChem CID	73424718

Physical properties
Physical form	Solid
LogP (XLogP3)	3.8
H-bond donors / acceptors	0 / 5
TPSA	62.8 Å²

Documents

Safety Data Sheet (SDS)16-section GHS · on request Certificate of AnalysisTypical / batch COA · on request Specification sheetTDS / MOA · on request

Frequently asked questions

What is the CAS number of (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one?

The CAS Registry Number of (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one is 220352-29-4.

What is the molecular formula and molecular weight of (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one?

(E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one has the molecular formula C19H21F2NO3S and a molecular weight of 381.4 g/mol. Its IUPAC name is (E)-3-(3,4-difluorophenyl)-1-[(1S,5R,7R)-10,10-dimethyl-3,3-dioxo-3lambda6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]prop-2-en-1-one.

What is (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one used for?

(E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one is supplied as a characterised reference material related to Ticagrelor. It is used for analytical method development and validation (AMV), impurity profiling, stability studies and quality control, and in ANDA/DMF regulatory filings.

Which grade and pack sizes of (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one can I order?

We supply (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one in Reference Standard grade, in 10 mg, 25 mg, 50 mg, 100 mg packs. Larger bulk quantities and custom packing are quoted on request.

Do you provide a COA and SDS with (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one?

Yes. Every lot of (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one is shipped with a batch-specific Certificate of Analysis, and a 16-section GHS Safety Data Sheet is provided with the quotation and the shipment.

Can (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one be shipped internationally?

Yes. We export (E)-3-(3,4-Difluorophenyl)-1-((3aS,6R,7aR)-8,8-dimethyl-2,2-dioxidohexahydro-1H-3a,6-methanobenzo[c]isothiazol-1-yl)prop-2-en-1-one worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.