(E)-3-O-Methyl Entacapone

About (E)-3-O-Methyl Entacapone

(E)-3-O-Methyl Entacapone is an impurity of Entacapone carrying the CAS registry number 857629-78-8. The compound has the formula C15H17N3O5, corresponding to a molecular weight of 319.31 g/mol. Systematically, it is named (E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide. Common synonyms include Entacapone 3-Methyl Ether and 3-O-methylentacapone.

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.

As a characterised impurity of Entacapone, it is used for analytical method development, method validation (AMV) and routine quality-control testing, and it supports ANDA and DMF regulatory filings. Typical end-use sectors are pharmaceutical manufacturing and academic and industrial research.

Standard pack sizes are 10 mg, 25 mg, 50 mg and 100 mg, and every batch ships with a Certificate of Analysis (COA) and we export worldwide.

Typical applications

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

Industries

Related to Entacapone

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

Entacapone impurities

Specifications & identifiers

Chemical identifiers
Product name	(E)-3-O-Methyl Entacapone
Catalogue No.	VQ-022528
CAS Number	857629-78-8
IUPAC name	(E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide
Molecular formula	C₁₅H₁₇N₃O₅
Molecular weight	319.31 g/mol
Exact mass	319.1168
Grade	Reference Standard
HSN code	38229090
InChIKey	MAZRYCCTAIVEQP-IZZDOVSWSA-N
SMILES	CCN(CC)C(=O)/C(=C/C1=CC(=C(C(=C1)OC)O)[N+](=O)[O-])/C#N
PubChem CID	11449993

Physical properties
Physical form	Solid
LogP (XLogP3)	2.5
H-bond donors / acceptors	1 / 6
TPSA	119 Å²
Synonyms	Entacapone 3-Methyl Ether, 3-O-methylentacapone, (E/Z)-3-O-Methyl Entacapone, (2E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide, (E)-2-Cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)acrylamide, 2-Propenamide, 2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-, (2E)-, N,N-diethyl-2-cyano-3-(-3-methoxy-4-hydroxy-5-nitrophenyl)acrylamide, (2e)-2-cyano-3-(3-methoxy-4-hydroxy-5-nitrophenyl)-N,N-diethyl-2-propenamide, N1,N1-diethyl-(E)-2-cyano-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenamide

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-O-Methyl Entacapone?

The CAS Registry Number of (E)-3-O-Methyl Entacapone is 857629-78-8. It is also known as Entacapone 3-Methyl Ether, 3-O-methylentacapone, (E/Z)-3-O-Methyl Entacapone.

What is the molecular formula and molecular weight of (E)-3-O-Methyl Entacapone?

(E)-3-O-Methyl Entacapone has the molecular formula C15H17N3O5 and a molecular weight of 319.31 g/mol. Its IUPAC name is (E)-2-cyano-N,N-diethyl-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enamide.

What is (E)-3-O-Methyl Entacapone used for?

(E)-3-O-Methyl Entacapone is supplied as a characterised reference material related to Entacapone. 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-O-Methyl Entacapone can I order?

We supply (E)-3-O-Methyl Entacapone 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-O-Methyl Entacapone?

Yes. Every lot of (E)-3-O-Methyl Entacapone 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-O-Methyl Entacapone be shipped internationally?

Yes. We export (E)-3-O-Methyl Entacapone worldwide by air and sea freight or express courier, on EXW, FOB, CIF, CFR or DAP Incoterms, with full export documentation.