Aloesin
TL;DR: Aloesin (CAS 3569-84-4) is a chemical compound with molecular formula C19H22O9 and molecular weight 394.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one
Also Known As: Aloesin, Aloeresin, Aloe resin B, Aloeresin B, Aloersin B
| Molecular Formula | C19H22O9 |
|---|---|
| Molecular Weight | 394.13 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.12637 |
| Heavy Atoms | 28 |
| Complexity | 647.0 |
Chemical Identifiers
| CAS Number | 3569-84-4 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1C(=O)C=C(O2)CC(=O)C)[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | HKIKAXXIWJHWLY-ZIIYPAMZSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Aloesin (CAS 3569-84-4), with molecular formula C19H22O9 and molecular weight 394.13 g/mol. IUPAC: 7-hydroxy-5-methyl-2-(2-oxopropyl)-8-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]chromen-4-one.
Chemical Property Profile of Aloesin
Property Insights of Aloesin
The XLogP value of -1.3 indicates that Aloesin is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting Aloesin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aloesin 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 Aloesin?
The CAS number of Aloesin is 3569-84-4.
What is the molecular formula of Aloesin?
The molecular formula of Aloesin is C19H22O9.
What is the molecular weight of Aloesin?
The molecular weight of Aloesin is 394.13 g/mol.
Where can I buy Aloesin?
You can request a quote for Aloesin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aloesin?
Yes, KEHONG BIO provides custom synthesis services for Aloesin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.