(-)-Desoxyaloin
TL;DR: (-)-Desoxyaloin (CAS 18262-45-8) is a chemical compound with molecular formula C21H22O8 and molecular weight 402.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dihydroxy-3-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
Also Known As: (-)-Desoxyaloin, Anthrone, 10-beta-D-glucopyranosyl-1,8-dihydroxy-3-methyl-, 1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)hexitol, (1S)-1,5-Anhydro-1-(4,5-dihydroxy-2-methyl-10-oxo-9,10-dihydroanthracen-9-yl)-D-glucitol, 1,8-dihydroxy-3-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one
| Molecular Formula | C21H22O8 |
|---|---|
| Molecular Weight | 402.13 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 148.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 402.13147 |
| Heavy Atoms | 29 |
| Complexity | 613.0 |
Chemical Identifiers
| CAS Number | 18262-45-8 |
|---|---|
| SMILES | CC1=CC2=C(C(=C1)O)C(=O)C3=C(C2[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)C=CC=C3O |
| InChIKey | RZCVGOHQLRNJKQ-CGISPIQUSA-N |
Product Overview
(-)-Desoxyaloin (CAS 18262-45-8), with molecular formula C21H22O8 and molecular weight 402.13 g/mol. IUPAC: 1,8-dihydroxy-3-methyl-10-[(2S,3R,4R,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]-10H-anthracen-9-one.
Chemical Property Profile of (-)-Desoxyaloin
Property Insights of (-)-Desoxyaloin
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (-)-Desoxyaloin. The TPSA of 148.0 Ų indicates high polarity, suggesting (-)-Desoxyaloin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (-)-Desoxyaloin has 6 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (-)-Desoxyaloin?
The CAS number of (-)-Desoxyaloin is 18262-45-8.
What is the molecular formula of (-)-Desoxyaloin?
The molecular formula of (-)-Desoxyaloin is C21H22O8.
What is the molecular weight of (-)-Desoxyaloin?
The molecular weight of (-)-Desoxyaloin is 402.13 g/mol.
Where can I buy (-)-Desoxyaloin?
You can request a quote for (-)-Desoxyaloin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-Desoxyaloin?
Yes, KEHONG BIO provides custom synthesis services for (-)-Desoxyaloin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.