Chrysophanein
TL;DR: Chrysophanein (CAS 4839-60-5) is a chemical compound with molecular formula C21H20O9 and molecular weight 416.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione
Also Known As: Chrysophanein, Chrysophaniin, Chrysophanol 1-glucoside, Chrysophanol 1-o-glucoside, Chrysophanol glucoside
| Molecular Formula | C21H20O9 |
|---|---|
| Molecular Weight | 416.11 g/mol |
| LogP | -0.34528 |
| Topological Polar Surface Area | 153.75 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 416.11072 |
| Heavy Atoms | 30 |
| Complexity | 1029.3773 |
Chemical Identifiers
| CAS Number | 4839-60-5 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)C(=O)C4=C(C2=O)C=CC=C4O |
Product Overview
Chrysophanein (CAS 4839-60-5), with molecular formula C21H20O9 and molecular weight 416.11 g/mol. IUPAC: 8-hydroxy-3-methyl-1-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyanthracene-9,10-dione.
Chemical Property Profile of Chrysophanein
Property Insights of Chrysophanein
The XLogP value of -0.34528 indicates that Chrysophanein is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 153.75 Ų indicates high polarity, suggesting Chrysophanein may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Chrysophanein has 5 hydrogen bond donor(s) and 9 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 Chrysophanein?
The CAS number of Chrysophanein is 4839-60-5.
What is the molecular formula of Chrysophanein?
The molecular formula of Chrysophanein is C21H20O9.
What is the molecular weight of Chrysophanein?
The molecular weight of Chrysophanein is 416.11 g/mol.
Where can I buy Chrysophanein?
You can request a quote for Chrysophanein directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysophanein?
Yes, KEHONG BIO provides custom synthesis services for Chrysophanein and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.