Prunetin 5-glucoside
TL;DR: Prunetin 5-glucoside (CAS 89595-66-4) is a chemical compound with molecular formula C22H22O10 and molecular weight 446.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Prunetin 5-glucoside, Prunetin 5-O-, A-D-glucopyranoside, Prunetin 5-O-??-D-glucopyranoside, Prunetin 5-O-beta-D-glucopyranoside
| Molecular Formula | C22H22O10 |
|---|---|
| Molecular Weight | 446.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 446.1213 |
| Heavy Atoms | 32 |
| Complexity | 690.0 |
Chemical Identifiers
| CAS Number | 89595-66-4 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C(=CO2)C4=CC=C(C=C4)O |
| InChIKey | AJAGLPDYKVWJQE-RECXWPGBSA-N |
Product Overview
Prunetin 5-glucoside (CAS 89595-66-4), with molecular formula C22H22O10 and molecular weight 446.12 g/mol. IUPAC: 3-(4-hydroxyphenyl)-7-methoxy-5-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Prunetin 5-glucoside
Property Insights of Prunetin 5-glucoside
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Prunetin 5-glucoside. The TPSA of 155.0 Ų indicates high polarity, suggesting Prunetin 5-glucoside may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Prunetin 5-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 Prunetin 5-glucoside?
The CAS number of Prunetin 5-glucoside is 89595-66-4.
What is the molecular formula of Prunetin 5-glucoside?
The molecular formula of Prunetin 5-glucoside is C22H22O10.
What is the molecular weight of Prunetin 5-glucoside?
The molecular weight of Prunetin 5-glucoside is 446.12 g/mol.
Where can I buy Prunetin 5-glucoside?
You can request a quote for Prunetin 5-glucoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Prunetin 5-glucoside?
Yes, KEHONG BIO provides custom synthesis services for Prunetin 5-glucoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.