Aureusin
TL;DR: Aureusin (CAS 633-15-8) is a chemical compound with molecular formula C21H20O11 and molecular weight 448.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one
Also Known As: Aureusin, aureusidin 6-O-beta-glucoside, Aureusidin 6-O-glucoside, Aureusidin-6-glucoside, aureusidin 6-O-beta-D-glucoside
| Molecular Formula | C21H20O11 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | -0.4017 |
| Topological Polar Surface Area | 186.37 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.10056 |
| Heavy Atoms | 32 |
| Complexity | 1077.6559 |
Chemical Identifiers
| CAS Number | 633-15-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1/C=C\2/C(=O)C3=C(C=C(C=C3O2)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)O)O |
Product Overview
Aureusin (CAS 633-15-8), with molecular formula C21H20O11 and molecular weight 448.10 g/mol. IUPAC: (2Z)-2-[(3,4-dihydroxyphenyl)methylidene]-4-hydroxy-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy-1-benzofuran-3-one.
Chemical Property Profile of Aureusin
Property Insights of Aureusin
The XLogP value of -0.4017 indicates that Aureusin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 186.37 Ų indicates high polarity, suggesting Aureusin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aureusin has 7 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 Aureusin?
The CAS number of Aureusin is 633-15-8.
What is the molecular formula of Aureusin?
The molecular formula of Aureusin is C21H20O11.
What is the molecular weight of Aureusin?
The molecular weight of Aureusin is 448.10 g/mol.
Where can I buy Aureusin?
You can request a quote for Aureusin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aureusin?
Yes, KEHONG BIO provides custom synthesis services for Aureusin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.