Glucoraphanin
TL;DR: Glucoraphanin (CAS 21414-41-5) is a chemical compound with molecular formula C12H23NO10S3 and molecular weight 437.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypentanimidothioate
Also Known As: Glucoraphanin, Sulforaphane glucosinolate, 4-methylsulfinylbutyl glucosinolate, Glucoraphanin (4-Methylsulfinylbutyl-GS), [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypentanimidothioate
| Molecular Formula | C12H23NO10S3 |
|---|---|
| Molecular Weight | 437.05 g/mol |
| LogP | -2.1 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 10 |
| Exact Mass | 437.0484 |
| Heavy Atoms | 26 |
| Complexity | 593.0 |
Chemical Identifiers
| CAS Number | 21414-41-5 |
|---|---|
| SMILES | CS(=O)CCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | GMMLNKINDDUDCF-SISVVIKZSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glucoraphanin (CAS 21414-41-5), with molecular formula C12H23NO10S3 and molecular weight 437.05 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 5-methylsulfinyl-N-sulfooxypentanimidothioate.
Chemical Property Profile of Glucoraphanin
Property Insights of Glucoraphanin
The XLogP value of -2.1 indicates that Glucoraphanin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Glucoraphanin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucoraphanin has 5 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glucoraphanin?
The CAS number of Glucoraphanin is 21414-41-5.
What is the molecular formula of Glucoraphanin?
The molecular formula of Glucoraphanin is C12H23NO10S3.
What is the molecular weight of Glucoraphanin?
The molecular weight of Glucoraphanin is 437.05 g/mol.
Where can I buy Glucoraphanin?
You can request a quote for Glucoraphanin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucoraphanin?
Yes, KEHONG BIO provides custom synthesis services for Glucoraphanin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.