Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-… 327623-37-0

Name: Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant
Brand: Vaqora Chemicals
SKU: VQ-035141

About Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant

Vaqora Chemicals supplies Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant, a metabolite or degradation product of Aprepitant registered under CAS number 327623-37-0. With the molecular formula C20H18F7NO2, it has a molar mass of 437.4 g/mol. Its systematic (IUPAC) name is (2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine. Common synonyms include Aprepitant M2 Metabolite (1S, 2S, 3R)-Isomer and Aprepitant M2 Metabolite (1S, 2R, 3S)-Isomer.

It is supplied as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. Handle it with standard laboratory precautions and appropriate personal protective equipment.

It is used in metabolite identification, stability-indicating method development and impurity profiling of Aprepitant, as well as in QC testing and ANDA/DMF documentation. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Vaqora Chemicals supplies Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant in 10 mg, 25 mg, 50 mg and 100 mg packs, each shipped with a Certificate of Analysis (COA), and exports worldwide.

Typical applications

Metabolite identification
Stability-indicating methods
Impurity profiling

Industries

Related to Aprepitant

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

Aprepitant impurities

Specifications & identifiers

Chemical identifiers
Product name	Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant
Catalogue No.	VQ-035141
CAS Number	327623-37-0
IUPAC name	(2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine
Molecular formula	C₂₀H₁₈F₇NO₂
Molecular weight	437.4 g/mol
Exact mass	437.1226
Grade	Reference Standard
HSN code	38229090
InChIKey	AFBDSAJOMZYQAI-PDSMFRHLSA-N
SMILES	C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@H]2[C@H](NCCO2)C3=CC=C(C=C3)F
PubChem CID	46868422

Physical properties
Physical form	Solid
LogP (XLogP3)	4.7
H-bond donors / acceptors	1 / 10
TPSA	30.5 Å²
Synonyms	Aprepitant M2 Metabolite (1S, 2S, 3R)-Isomer, Aprepitant M2 Metabolite (1S, 2R, 3S)-Isomer, (2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine, (2S,3R)-2-{(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy}-3-(4-fluorophenyl)morpholine, 2-[(1S)-1-[3,5-Bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine, (2S,3R)-

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 Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant?

The CAS Registry Number of Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant is 327623-37-0. It is also known as Aprepitant M2 Metabolite (1S, 2S, 3R)-Isomer, Aprepitant M2 Metabolite (1S, 2R, 3S)-Isomer, (2S,3R)-2-((S)-1-(3,5-bis(trifluoromethyl)phenyl)ethoxy)-3-(4-fluorophenyl)morpholine.

What is the molecular formula and molecular weight of Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant?

Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant has the molecular formula C20H18F7NO2 and a molecular weight of 437.4 g/mol. Its IUPAC name is (2S,3R)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholine.

What is Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant used for?

Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant is supplied as a characterised reference material related to Aprepitant. 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 Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant can I order?

We supply Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant 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 Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant?

Yes. Every lot of Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant 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 Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant be shipped internationally?

Yes. We export Des-1,2,4-triazol-3-one-5-methyl (2S,3R,1'S)-Aprepitant worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.