1,8-Dihydroxy-4-hydroxymethylanthraquinone
TL;DR: 1,8-Dihydroxy-4-hydroxymethylanthraquinone (CAS 128344-06-9) 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.
4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione
Also Known As: DHHMA, 1,8-Dihydroxy-4-hydroxymethylanthraquinone, (4S)-4-methyloctanoic acid, 4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione, Octanoic acid, 4-methyl-, (4R)-
| Molecular Formula | C15H10O5 |
|---|---|
| Molecular Weight | 270.05 g/mol |
| LogP | 1.8 |
| 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 | 128344-06-9 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)O)C(=O)C3=C(C=CC(=C3C2=O)CO)O |
| InChIKey | WLOAMJAMSFVOOZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,8-Dihydroxy-4-hydroxymethylanthraquinone (CAS 128344-06-9), with molecular formula C15H10O5 and molecular weight 270.05 g/mol. IUPAC: 4,5-dihydroxy-1-(hydroxymethyl)anthracene-9,10-dione.
Chemical Property Profile of 1,8-Dihydroxy-4-hydroxymethylanthraquinone
Property Insights of 1,8-Dihydroxy-4-hydroxymethylanthraquinone
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Dihydroxy-4-hydroxymethylanthraquinone. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,8-Dihydroxy-4-hydroxymethylanthraquinone. Following Lipinski's Rule of Five, 1,8-Dihydroxy-4-hydroxymethylanthraquinone 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 1,8-Dihydroxy-4-hydroxymethylanthraquinone?
The CAS number of 1,8-Dihydroxy-4-hydroxymethylanthraquinone is 128344-06-9.
What is the molecular formula of 1,8-Dihydroxy-4-hydroxymethylanthraquinone?
The molecular formula of 1,8-Dihydroxy-4-hydroxymethylanthraquinone is C15H10O5.
What is the molecular weight of 1,8-Dihydroxy-4-hydroxymethylanthraquinone?
The molecular weight of 1,8-Dihydroxy-4-hydroxymethylanthraquinone is 270.05 g/mol.
Where can I buy 1,8-Dihydroxy-4-hydroxymethylanthraquinone?
You can request a quote for 1,8-Dihydroxy-4-hydroxymethylanthraquinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Dihydroxy-4-hydroxymethylanthraquinone?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Dihydroxy-4-hydroxymethylanthraquinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.