isogentisin 3-O-glucoside
TL;DR: isogentisin 3-O-glucoside (CAS 68325-59-7) is a chemical compound with molecular formula C20H20O10 and molecular weight 420.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one
Also Known As: Isogentisin 3-O-glucoside, J1.989.173I, 1-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one, 1-Hydroxy-3-(beta-D-glucopyranosyloxy)-7-methoxy-9H-xanthene-9-one, 1-Hydroxy-7-methoxy-9-oxo-9H-xanthen-3-yl beta-D-glucopyranoside
| Molecular Formula | C20H20O10 |
|---|---|
| Molecular Weight | 420.11 g/mol |
| LogP | -0.1609 |
| Topological Polar Surface Area | 159.05 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 4 |
| Exact Mass | 420.10565 |
| Heavy Atoms | 30 |
| Complexity | 1137.8254 |
Chemical Identifiers
| CAS Number | 68325-59-7 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)OC3=CC(=CC(=C3C2=O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
Product Overview
isogentisin 3-O-glucoside (CAS 68325-59-7), with molecular formula C20H20O10 and molecular weight 420.11 g/mol. IUPAC: 1-hydroxy-7-methoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyxanthen-9-one.
Chemical Property Profile of isogentisin 3-O-glucoside
Property Insights of isogentisin 3-O-glucoside
The XLogP value of -0.1609 indicates that isogentisin 3-O-glucoside is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 159.05 Ų indicates high polarity, suggesting isogentisin 3-O-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, isogentisin 3-O-glucoside 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 isogentisin 3-O-glucoside?
The CAS number of isogentisin 3-O-glucoside is 68325-59-7.
What is the molecular formula of isogentisin 3-O-glucoside?
The molecular formula of isogentisin 3-O-glucoside is C20H20O10.
What is the molecular weight of isogentisin 3-O-glucoside?
The molecular weight of isogentisin 3-O-glucoside is 420.11 g/mol.
Where can I buy isogentisin 3-O-glucoside?
You can request a quote for isogentisin 3-O-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for isogentisin 3-O-glucoside?
Yes, KEHONG BIO provides custom synthesis services for isogentisin 3-O-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.