5-Methylsulfinylpentyl glucosinolate
TL;DR: 5-Methylsulfinylpentyl glucosinolate (CAS 499-37-6) is a chemical compound with molecular formula C13H25NO10S3 and molecular weight 451.06 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] 6-methylsulfinyl-N-sulfooxyhexanimidothioate
Also Known As: Glucoalyssin, 5-methylsulfinylpentyl glucosinolate, Glucoalyssin (5-Methylsulfinylpentyl-GS), 8-BENZYLOXY-IMIDAZO[1,2-A]PYRIDINE, 1-Thio-beta-D-glucopyranose 1-(6-(methylsulfinyl)-N-(sulfooxy)hexanimidate)
| Molecular Formula | C13H25NO10S3 |
|---|---|
| Molecular Weight | 451.06 g/mol |
| LogP | -1.7 |
| Topological Polar Surface Area | 236.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 11 |
| Exact Mass | 451.06406 |
| Heavy Atoms | 27 |
| Complexity | 608.0 |
Chemical Identifiers
| CAS Number | 499-37-6 |
|---|---|
| SMILES | CS(=O)CCCCCC(=NOS(=O)(=O)O)S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
| InChIKey | HUCGRJSHMZWRQQ-LJBAHSCYSA-N |
Product Overview
5-Methylsulfinylpentyl glucosinolate (CAS 499-37-6), with molecular formula C13H25NO10S3 and molecular weight 451.06 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 6-methylsulfinyl-N-sulfooxyhexanimidothioate.
Chemical Property Profile of 5-Methylsulfinylpentyl glucosinolate
Property Insights of 5-Methylsulfinylpentyl glucosinolate
The XLogP value of -1.7 indicates that 5-Methylsulfinylpentyl glucosinolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 236.0 Ų indicates high polarity, suggesting 5-Methylsulfinylpentyl glucosinolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-Methylsulfinylpentyl glucosinolate 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 5-Methylsulfinylpentyl glucosinolate?
The CAS number of 5-Methylsulfinylpentyl glucosinolate is 499-37-6.
What is the molecular formula of 5-Methylsulfinylpentyl glucosinolate?
The molecular formula of 5-Methylsulfinylpentyl glucosinolate is C13H25NO10S3.
What is the molecular weight of 5-Methylsulfinylpentyl glucosinolate?
The molecular weight of 5-Methylsulfinylpentyl glucosinolate is 451.06 g/mol.
Where can I buy 5-Methylsulfinylpentyl glucosinolate?
You can request a quote for 5-Methylsulfinylpentyl glucosinolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylsulfinylpentyl glucosinolate?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylsulfinylpentyl glucosinolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.