Isoscutellarein 8-O-glucoside
TL;DR: Isoscutellarein 8-O-glucoside (CAS 53761-83-4) 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.
5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Vitexin, Isoscutellarein 8-O-glucoside, J1.887.273K, 4 ,5,7-Trihydroxy-8-(beta-D-glucopyranosyloxy)flavone, 2-(4-Hydroxyphenyl)-5,7-dihydroxy-8-(beta-D-glucopyranosyloxy)-4H-1-benzopyran-4-one
| Molecular Formula | C21H20O11 |
|---|---|
| Molecular Weight | 448.10 g/mol |
| LogP | -0.2445 |
| Topological Polar Surface Area | 190.28 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 448.10056 |
| Heavy Atoms | 32 |
| Complexity | 1185.0555 |
Chemical Identifiers
| CAS Number | 53761-83-4 |
|---|---|
| SMILES | C1=CC(=CC=C1C2=CC(=O)C3=C(O2)C(=C(C=C3O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
Isoscutellarein 8-O-glucoside (CAS 53761-83-4), with molecular formula C21H20O11 and molecular weight 448.10 g/mol. IUPAC: 5,7-dihydroxy-2-(4-hydroxyphenyl)-8-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Isoscutellarein 8-O-glucoside
Property Insights of Isoscutellarein 8-O-glucoside
The XLogP value of -0.2445 indicates that Isoscutellarein 8-O-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 190.28 Ų indicates high polarity, suggesting Isoscutellarein 8-O-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isoscutellarein 8-O-glucoside 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 Isoscutellarein 8-O-glucoside?
The CAS number of Isoscutellarein 8-O-glucoside is 53761-83-4.
What is the molecular formula of Isoscutellarein 8-O-glucoside?
The molecular formula of Isoscutellarein 8-O-glucoside is C21H20O11.
What is the molecular weight of Isoscutellarein 8-O-glucoside?
The molecular weight of Isoscutellarein 8-O-glucoside is 448.10 g/mol.
Where can I buy Isoscutellarein 8-O-glucoside?
You can request a quote for Isoscutellarein 8-O-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoscutellarein 8-O-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Isoscutellarein 8-O-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.