Glucoiberin
TL;DR: Glucoiberin (CAS 15592-34-4) is a chemical compound with molecular formula C11H21NO10S3 and molecular weight 423.03 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] 4-methylsulfinyl-N-sulfooxybutanimidothioate
Also Known As: Glucoiberin, 3-methylsulfinylpropyl glucosinolate, 3-(methylsulfinyl)propyl glucosinolate, 3-(methylsulfinyl)propyl-glucosinolate, Glucoiberin (3-Methylsulfinylpropyl-GS)
| Molecular Formula | C11H21NO10S3 |
|---|---|
| Molecular Weight | 423.03 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 9 |
| Exact Mass | 423.03275 |
| Heavy Atoms | 25 |
| Complexity | 577.0 |
Chemical Identifiers
| CAS Number | 15592-34-4 |
|---|---|
| SMILES | CS(=O)CCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | PHYYADMVYQURSX-GEINXPCQSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Glucoiberin (CAS 15592-34-4), with molecular formula C11H21NO10S3 and molecular weight 423.03 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 4-methylsulfinyl-N-sulfooxybutanimidothioate.
Chemical Property Profile of Glucoiberin
Property Insights of Glucoiberin
The XLogP value of -2.4 indicates that Glucoiberin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting Glucoiberin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucoiberin 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 Glucoiberin?
The CAS number of Glucoiberin is 15592-34-4.
What is the molecular formula of Glucoiberin?
The molecular formula of Glucoiberin is C11H21NO10S3.
What is the molecular weight of Glucoiberin?
The molecular weight of Glucoiberin is 423.03 g/mol.
Where can I buy Glucoiberin?
You can request a quote for Glucoiberin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucoiberin?
Yes, KEHONG BIO provides custom synthesis services for Glucoiberin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.