(1S,2R,3S)-Aprepitant

Name: (1S,2R,3S)-Aprepitant
Brand: Vaqora Chemicals
SKU: VQ-029204

About (1S,2R,3S)-Aprepitant

Vaqora Chemicals supplies (1S,2R,3S)-Aprepitant, an impurity of Fosaprepitant registered under CAS number 170902-81-5. The compound has the formula C23H21F7N4O3, corresponding to a molecular weight of 534.4 g/mol. It is also known as Aprepitant (S,R,S)-Isomer or [1(S)-Phenylethoxy]-Aprepitant.

The product is provided as a solid. Store the standard in its sealed vial, protected from light and moisture, and follow the storage condition printed on the COA. Good laboratory practice and suitable PPE are recommended during handling.

This Fosaprepitant impurity supports analytical method development and validation (AMV), batch release testing and the impurity sections of ANDA and DMF filings. It is used across pharmaceutical manufacturing and academic and industrial research.

We offer (1S,2R,3S)-Aprepitant in 10 mg, 25 mg, 50 mg and 100 mg packs with a batch-specific COA, and ship to customers worldwide.

Typical applications

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

Industries

Related to Fosaprepitant

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

Fosaprepitant impurities

Specifications & identifiers

Chemical identifiers
Product name	(1S,2R,3S)-Aprepitant
Catalogue No.	VQ-029204
CAS Number	170902-81-5
IUPAC name	3-[[(2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one
Molecular formula	C₂₃H₂₁F₇N₄O₃
Molecular weight	534.4 g/mol
Exact mass	534.1502
Grade	Reference Standard
HSN code	38229090
InChIKey	ATALOFNDEOCMKK-OCCQLPPTSA-N
SMILES	C[C@@H](C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F)O[C@@H]2[C@@H](N(CCO2)CC3=NNC(=O)N3)C4=CC=C(C=C4)F
PubChem CID	135934924

Physical properties
Physical form	Solid
LogP (XLogP3)	4.2
H-bond donors / acceptors	2 / 12
TPSA	75.2 Å²
Synonyms	Aprepitant (S,R,S)-Isomer, [1(S)-Phenylethoxy]-Aprepitant, Aprepitant (MK-0869), Aprepitant, (1S,2R,3S)-, (2R,3R,4R,5S)-6-(hydroxy(methyl)amino)hexane-1,2,3,4,5-pentaol

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 (1S,2R,3S)-Aprepitant?

The CAS Registry Number of (1S,2R,3S)-Aprepitant is 170902-81-5. It is also known as Aprepitant (S,R,S)-Isomer, [1(S)-Phenylethoxy]-Aprepitant, Aprepitant (MK-0869).

What is the molecular formula and molecular weight of (1S,2R,3S)-Aprepitant?

(1S,2R,3S)-Aprepitant has the molecular formula C23H21F7N4O3 and a molecular weight of 534.4 g/mol. Its IUPAC name is 3-[[(2R,3S)-2-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethoxy]-3-(4-fluorophenyl)morpholin-4-yl]methyl]-1,4-dihydro-1,2,4-triazol-5-one.

What is (1S,2R,3S)-Aprepitant used for?

(1S,2R,3S)-Aprepitant is supplied as a characterised reference material related to Fosaprepitant. 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 (1S,2R,3S)-Aprepitant can I order?

We supply (1S,2R,3S)-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 (1S,2R,3S)-Aprepitant?

Yes. Every lot of (1S,2R,3S)-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 (1S,2R,3S)-Aprepitant be shipped internationally?

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