Damnacanthol
TL;DR: Damnacanthol (CAS 5441-45-2) is a chemical compound with molecular formula C16H12O5 and molecular weight 284.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(hydroxymethyl)-1-methoxyanthracene-9,10-dione
Also Known As: Damnacanthol, Damnacantol, 3-hydroxy-2-(hydroxymethyl)-1-methoxyanthracene-9,10-dione, MEGxp0_001331, ACon1_000070
| Molecular Formula | C16H12O5 |
|---|---|
| Molecular Weight | 284.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 83.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 284.06848 |
| Heavy Atoms | 21 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 5441-45-2 |
|---|---|
| SMILES | COC1=C2C(=CC(=C1CO)O)C(=O)C3=CC=CC=C3C2=O |
| InChIKey | ASFZQCLAQPBWDN-UHFFFAOYSA-N |
Product Overview
Damnacanthol (CAS 5441-45-2), with molecular formula C16H12O5 and molecular weight 284.07 g/mol. IUPAC: 3-hydroxy-2-(hydroxymethyl)-1-methoxyanthracene-9,10-dione.
Chemical Property Profile of Damnacanthol
Property Insights of Damnacanthol
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Damnacanthol. The TPSA of 83.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Damnacanthol. Following Lipinski's Rule of Five, Damnacanthol has 2 hydrogen bond donor(s) and 5 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 Damnacanthol?
The CAS number of Damnacanthol is 5441-45-2.
What is the molecular formula of Damnacanthol?
The molecular formula of Damnacanthol is C16H12O5.
What is the molecular weight of Damnacanthol?
The molecular weight of Damnacanthol is 284.07 g/mol.
Where can I buy Damnacanthol?
You can request a quote for Damnacanthol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Damnacanthol?
Yes, KEHONG BIO provides custom synthesis services for Damnacanthol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.