1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
TL;DR: 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione (CAS 22296-59-9) is a chemical compound with molecular formula C15H10O5 and molecular weight 270.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Also Known As: Digiferrol, 1,4-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione, 1,4-Dihydroxy-2-hydroxymethyl-anthraquinone, 2-Hydroxymethylquinizarin, 9630AH
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 270.05283 |
| Heavy Atoms | 20 |
| Complexity | 420.0 |
Chemical Identifiers
| CAS Number | 22296-59-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(C=C(C(=C3C2=O)O)CO)O |
| InChIKey | KNWUNQIVFSTASV-UHFFFAOYSA-N |
Product Overview
1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione (CAS 22296-59-9), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 1,4-dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione.
Chemical Property Profile of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
Property Insights of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione. Following Lipinski's Rule of Five, 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione has 3 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 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione?
The CAS number of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione is 22296-59-9.
What is the molecular formula of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione?
The molecular formula of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione is C15H10O5.
What is the molecular weight of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione?
The molecular weight of 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione is 270.05 g/mol.
Where can I buy 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione?
You can request a quote for 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dihydroxy-2-(hydroxymethyl)anthracene-9,10-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.