(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethyl… 623950-02-7

Name: (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid
Brand: Vaqora Chemicals
SKU: VQ-044402

About (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid

(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid (CAS 623950-02-7) is an impurity of Eluxadoline offered by Vaqora Chemicals. The compound has the formula C17H24N2O5, corresponding to a molecular weight of 336.4 g/mol. The IUPAC name is (2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid. Common synonyms include CS-M3118.

It is supplied as a solid. Keep the vial tightly closed, protected from light and humidity, at the temperature stated on the Certificate of Analysis. It carries the GHS signal word “Danger” with 5 hazard statements. Review the Safety Data Sheet before use.

This Eluxadoline 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.

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 Eluxadoline

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

Eluxadoline impurities

Specifications & identifiers

Chemical identifiers
Product name	(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid
Catalogue No.	VQ-044402
CAS Number	623950-02-7
IUPAC name	(2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid
Molecular formula	C₁₇H₂₄N₂O₅
Molecular weight	336.4 g/mol
Exact mass	336.1685
Grade	Reference Standard
HSN code	38229090
InChIKey	ZLUHLTMMROGKKD-ZDUSSCGKSA-N
SMILES	CC1=CC(=CC(=C1C[C@@H](C(=O)O)NC(=O)OC(C)(C)C)C)C(=O)N
PubChem CID	11847987

Physical properties
Physical form	Solid
LogP (XLogP3)	2.1
H-bond donors / acceptors	3 / 5
TPSA	119 Å²
Synonyms	N-(tert-Butoxycarbonyl)-4-carbamoyl-2,6-dimethyl-L-phenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid, (S)-2-(tert-butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid, 4-(Aminocarbonyl)-N-[(1,1-dimethylethoxy)carbonyl]-2,6-dimethyl-L-phenylalanine, (2S)-2-{[(tert-butoxy)carbonyl]amino}-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid, CS-M3118, (2S)-2-(tert-butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethyl-phenyl)propanoic acid, (S)-2-((tert-butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoicacid, (S)-2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethyl-phenyl)-propionic acid, (S)-2-tert-Butoxycarbonylamino-3-(4-carbamoyl-2,6-dimethylphenyl)propionic acid, 4-(Aminocarbonyl)-N-[(11-dimethylethoxy)carbonyl]-26-dimethyl-L-phenylalanine

Safety & hazard information (GHS)

Toxic

Harmful / irritant

Signal word: Danger

Hazard statements

H301Toxic if swallowed
H302Harmful if swallowed
H311Toxic in contact with skin
H330Fatal if inhaled
H331Toxic if inhaled

Precautionary statements: P260, P261, P262, P264, P270, P271, P280, P284, P301 + P316, P301 + P317, P302 + P352, P304 + P340, P316, P320, P321, P330, P361 + P364, P403 + P233, P405, P501

Classification is indicative (aggregated GHS notifications) and may vary by grade and concentration. Always refer to the SDS supplied with your lot.

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 (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid?

The CAS Registry Number of (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid is 623950-02-7. It is also known as N-(tert-Butoxycarbonyl)-4-carbamoyl-2,6-dimethyl-L-phenylalanine, (S)-2-((tert-Butoxycarbonyl)amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid, (S)-2-(tert-butoxycarbonylamino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic acid.

What is the molecular formula and molecular weight of (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid?

(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid has the molecular formula C17H24N2O5 and a molecular weight of 336.4 g/mol. Its IUPAC name is (2S)-3-(4-carbamoyl-2,6-dimethylphenyl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic acid.

What is (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid used for?

(S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid is supplied as a characterised reference material related to Eluxadoline. 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 (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid can I order?

We supply (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid 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 (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid?

Yes. Every lot of (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid 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 (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid be shipped internationally?

Yes. (S)-2-(Boc-Amino)-3-(4-carbamoyl-2,6-dimethylphenyl)propanoic Acid is classified as hazardous, so it is packed in UN-approved packaging and shipped as dangerous goods under IATA/IMDG rules. We export worldwide on EXW, FOB, CIF and DAP terms.