Aloenin
TL;DR: Aloenin (CAS 57693-77-3) is a chemical compound with molecular formula C19H22O10 and molecular weight 410.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one
Also Known As: Aloenin, Aloenin A, Aloearbonaside, Aloenin (Standard), ALOENINA
| Molecular Formula | C19H22O10 |
|---|---|
| Molecular Weight | 410.12 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 155.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 410.1213 |
| Heavy Atoms | 29 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 57693-77-3 |
|---|---|
| SMILES | CC1=CC(=CC(=C1C2=CC(=CC(=O)O2)OC)O[C@H]3[C@@H]([C@H]([C@@H]([C@H](O3)CO)O)O)O)O |
| InChIKey | KFJNVVJUICKJEQ-LQDZTQBFSA-N |
Product Overview
Aloenin (CAS 57693-77-3), with molecular formula C19H22O10 and molecular weight 410.12 g/mol. IUPAC: 6-[4-hydroxy-2-methyl-6-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]-4-methoxypyran-2-one.
Chemical Property Profile of Aloenin
Property Insights of Aloenin
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Aloenin. The TPSA of 155.0 Ų indicates high polarity, suggesting Aloenin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Aloenin 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 Aloenin?
The CAS number of Aloenin is 57693-77-3.
What is the molecular formula of Aloenin?
The molecular formula of Aloenin is C19H22O10.
What is the molecular weight of Aloenin?
The molecular weight of Aloenin is 410.12 g/mol.
Where can I buy Aloenin?
You can request a quote for Aloenin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Aloenin?
Yes, KEHONG BIO provides custom synthesis services for Aloenin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.