Glucoraphanin

Name: Glucoraphanin
Brand: Vaqora Chemicals
SKU: VQ-040539

About Glucoraphanin

Vaqora Chemicals supplies Glucoraphanin, an API reference standard registered under CAS number 21414-41-5. Formula C12H23NO10S3, molecular weight 437.5 g/mol. It is also known as Sulforaphane glucosinolate or 4-methylsulfinylbutyl glucosinolate.

The product is provided as a solid. Reference materials should be stored sealed and away from light and moisture, as specified on the accompanying COA. The GHS classification uses the signal word “Warning”, so appropriate gloves, eye protection and ventilation are recommended.

Laboratories use this the parent drug substance standard for identity and assay testing, system suitability checks and method validation supporting ANDA and DMF filings. It is used across 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

Identification & assay
Method development & validation
QC reference material

Industries

Specifications & identifiers

Chemical identifiers
Product name	Glucoraphanin
Catalogue No.	VQ-040539
CAS Number	21414-41-5
IUPAC name	[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate
Molecular formula	C₁₂H₂₃NO₁₀S₃
Molecular weight	437.5 g/mol
Exact mass	437.0484
Grade	Reference Standard
HSN code	38229090
InChIKey	GMMLNKINDDUDCF-RFOBZYEESA-N
SMILES	CS(=O)CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O
PubChem CID	9548634

Physical properties
Physical form	Solid
LogP (XLogP3)	-2.1
H-bond donors / acceptors	5 / 13
TPSA	236 Å²
Synonyms	Sulforaphane glucosinolate, 4-methylsulfinylbutyl glucosinolate, beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate), beta-D-Glucopyranose, 1-thio-, 1-((1Z)-5-((R)-methylsulfinyl)-N-(sulfooxy)pentanimidate), Glucorafanin, Glucoraphanin Potassium, 4MSOB, 1-S-[(1E)-5-(Methanesulfinyl)-N-(sulfooxy)pentanimidoyl]-1-thio-beta-D-glucopyranose

Safety & hazard information (GHS)

Harmful / irritant

Signal word: Warning

Hazard statements

H317May cause an allergic skin reaction

Precautionary statements: P261, P272, P280, P302 + P352, P321, P333 + P317, P362 + P364, 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 Glucoraphanin?

The CAS Registry Number of Glucoraphanin is 21414-41-5. It is also known as Sulforaphane glucosinolate, 4-methylsulfinylbutyl glucosinolate, beta-D-Glucopyranose, 1-thio-, 1-(5-(methylsulfinyl)-N-(sulfooxy)pentanimidate).

What is the molecular formula and molecular weight of Glucoraphanin?

Glucoraphanin has the molecular formula C12H23NO10S3 and a molecular weight of 437.5 g/mol. Its IUPAC name is [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-5-methylsulfinyl-N-sulfooxypentanimidothioate.

Which grade and pack sizes of Glucoraphanin can I order?

We supply Glucoraphanin 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 Glucoraphanin?

Yes. Every lot of Glucoraphanin 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 Glucoraphanin be shipped internationally?

Yes. Glucoraphanin 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.