aloin
TL;DR: aloin (CAS 5133-19-7) is a chemical compound with molecular formula C21H22O9 and molecular weight 418.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Also Known As: aloin, Aloinum, Barbaloin, Aloin A, Aloin B
| Molecular Formula | C21H22O9 |
|---|---|
| Molecular Weight | 418.13 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 168.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 418.12637 |
| Heavy Atoms | 30 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 5133-19-7 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C2C4C(C(C(C(O4)CO)O)O)O)C=C(C=C3O)CO |
| InChIKey | AFHJQYHRLPMKHU-UHFFFAOYSA-N |
Product Overview
aloin (CAS 5133-19-7), with molecular formula C21H22O9 and molecular weight 418.13 g/mol. IUPAC: 1,8-dihydroxy-3-(hydroxymethyl)-10-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one.
Chemical Property Profile of aloin
Property Insights of aloin
The XLogP value of -0.1 indicates that aloin 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 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, aloin has 7 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of aloin?
The CAS number of aloin is 5133-19-7.
What is the molecular formula of aloin?
The molecular formula of aloin is C21H22O9.
What is the molecular weight of aloin?
The molecular weight of aloin is 418.13 g/mol.
Where can I buy aloin?
You can request a quote for aloin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for aloin?
Yes, KEHONG BIO provides custom synthesis services for aloin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.