Aloin B
TL;DR: Aloin B (CAS 28371-16-6) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.12637 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(10R)-1,8-dihydroxy-3-(hydroxymethyl)-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Also Known As: Aloin B, aloin, Isobarbaloin, Barbaloin, Aloinum
Application Areas
Top 5 of 17 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C21H22O9 |
| Molecular Weight | 418.12637 g/mol |
| XLogP | -0.1 |
| Topological Polar Surface Area (TPSA) | 168.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.12637 Da |
| Heavy Atoms | 30 |
| Complexity | 630.0 |
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C([C@@H]2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=C(C=C3O)CO |
| InChIKey | AFHJQYHRLPMKHU-WEZNYRQKSA-N |
Chemical Property Profile of Aloin B
Property Insights of Aloin B
The XLogP value of -0.1 indicates that Aloin B is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 168.0 Ų indicates high polarity, suggesting Aloin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aloin B has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of Aloin B?
The CAS number of Aloin B is 28371-16-6.
What is the molecular formula of Aloin B?
The molecular formula of Aloin B is C21H22O9.
What is the molecular weight of Aloin B?
The molecular weight of Aloin B is 418.12637 g/mol.
Where can I buy Aloin B?
You can request a quote for Aloin B directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Aloin B?
Yes, CoreyChem provides custom synthesis services for Aloin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.