Glucotropeolin
TL;DR: Glucotropeolin (CAS 5115-71-9) is a chemical compound with molecular formula C14H19NO9S2 and molecular weight 409.05 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] 2-phenyl-N-sulfooxyethanimidothioate
Also Known As: Glucotropaeolin, Glucotropeolin, Benzyl glucosinolate, Glucotropaeolin (Benzyl-GS), [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate
| Molecular Formula | C14H19NO9S2 |
|---|---|
| Molecular Weight | 409.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 200.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 7 |
| Exact Mass | 409.0501 |
| Heavy Atoms | 26 |
| Complexity | 573.0 |
Chemical Identifiers
| CAS Number | 5115-71-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(=NOS(=O)(=O)O)S[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O |
| InChIKey | QQGLQYQXUKHWPX-LPUQOGTASA-N |
Product Overview
Glucotropeolin (CAS 5115-71-9), with molecular formula C14H19NO9S2 and molecular weight 409.05 g/mol. IUPAC: [(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl] 2-phenyl-N-sulfooxyethanimidothioate.
Chemical Property Profile of Glucotropeolin
Property Insights of Glucotropeolin
The XLogP value of -0.2 indicates that Glucotropeolin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 200.0 Ų indicates high polarity, suggesting Glucotropeolin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Glucotropeolin has 5 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Glucotropeolin?
The CAS number of Glucotropeolin is 5115-71-9.
What is the molecular formula of Glucotropeolin?
The molecular formula of Glucotropeolin is C14H19NO9S2.
What is the molecular weight of Glucotropeolin?
The molecular weight of Glucotropeolin is 409.05 g/mol.
Where can I buy Glucotropeolin?
You can request a quote for Glucotropeolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Glucotropeolin?
Yes, KEHONG BIO provides custom synthesis services for Glucotropeolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.