Butyl glucosinolate
TL;DR: Butyl glucosinolate (CAS 35535-42-3) is a chemical compound with molecular formula C11H21NO9S2 and molecular weight 375.07 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] (1E)-N-sulfooxypentanimidothioate
Also Known As: Butyl glucosinolate, n-Butylglucosinolate, Butyl glucosinolate (n-Butyl-GS)
| Molecular Formula | C11H21NO9S2 |
|---|---|
| Molecular Weight | 375.07 g/mol |
| LogP | -1.1574 |
| Topological Polar Surface Area | 166.11 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 375.06577 |
| Heavy Atoms | 23 |
| Complexity | 495.72562 |
Chemical Identifiers
| CAS Number | 35535-42-3 |
|---|---|
| SMILES | CCCC/C(=N\OS(=O)(=O)O)/S[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O)O)O |
Product Overview
Butyl glucosinolate (CAS 35535-42-3), with molecular formula C11H21NO9S2 and molecular weight 375.07 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] (1E)-N-sulfooxypentanimidothioate.
Chemical Property Profile of Butyl glucosinolate
Property Insights of Butyl glucosinolate
The XLogP value of -1.1574 indicates that Butyl glucosinolate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.11 Ų indicates high polarity, suggesting Butyl glucosinolate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Butyl glucosinolate has 5 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Butyl glucosinolate?
The CAS number of Butyl glucosinolate is 35535-42-3.
What is the molecular formula of Butyl glucosinolate?
The molecular formula of Butyl glucosinolate is C11H21NO9S2.
What is the molecular weight of Butyl glucosinolate?
The molecular weight of Butyl glucosinolate is 375.07 g/mol.
Where can I buy Butyl glucosinolate?
You can request a quote for Butyl glucosinolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl glucosinolate?
Yes, KEHONG BIO provides custom synthesis services for Butyl glucosinolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.