Danielone
TL;DR: Danielone (CAS 90426-22-5) is a chemical compound with molecular formula C10H12O5 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone
Also Known As: Danielone, alpha-Hydroxyacetosyringone, a-Hydroxyacetosyringone, 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone, 2,4'-dihydroxy-3',5'-dimethoxyacetophenone
| Molecular Formula | C10H12O5 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 76.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.06847 |
| Heavy Atoms | 15 |
| Complexity | 204.0 |
| Melting Point | 145 °C |
Chemical Identifiers
| CAS Number | 90426-22-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1O)OC)C(=O)CO |
| InChIKey | ZTBAPEIDNUHRNC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Danielone (CAS 90426-22-5), with molecular formula C10H12O5 and molecular weight 212.07 g/mol. IUPAC: 2-hydroxy-1-(4-hydroxy-3,5-dimethoxyphenyl)ethanone.
Chemical Property Profile of Danielone
Property Insights of Danielone
The XLogP value of -0.4 indicates that Danielone is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Danielone. Following Lipinski's Rule of Five, Danielone 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 Danielone?
The CAS number of Danielone is 90426-22-5.
What is the molecular formula of Danielone?
The molecular formula of Danielone is C10H12O5.
What is the molecular weight of Danielone?
The molecular weight of Danielone is 212.07 g/mol.
Where can I buy Danielone?
You can request a quote for Danielone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Danielone?
Yes, KEHONG BIO provides custom synthesis services for Danielone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.