Derrustone
TL;DR: Derrustone (CAS 22044-59-3) is a chemical compound with molecular formula C18H14O6 and molecular weight 326.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-4-one
Also Known As: derrustone, Spectrum2_000763, Spectrum3_001085, Spectrum4_001238, SPECTRUM1401419
| Molecular Formula | C18H14O6 |
|---|---|
| Molecular Weight | 326.08 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 326.07904 |
| Heavy Atoms | 24 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 22044-59-3 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=O)C(=CO2)C3=CC4=C(C=C3)OCO4 |
| InChIKey | IMPPSJRGMZYGJW-UHFFFAOYSA-N |
Product Overview
Derrustone (CAS 22044-59-3), with molecular formula C18H14O6 and molecular weight 326.08 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5,7-dimethoxychromen-4-one.
Chemical Property Profile of Derrustone
Property Insights of Derrustone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Derrustone. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Derrustone. Following Lipinski's Rule of Five, Derrustone has 0 hydrogen bond donor(s) and 6 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 Derrustone?
The CAS number of Derrustone is 22044-59-3.
What is the molecular formula of Derrustone?
The molecular formula of Derrustone is C18H14O6.
What is the molecular weight of Derrustone?
The molecular weight of Derrustone is 326.08 g/mol.
Where can I buy Derrustone?
You can request a quote for Derrustone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Derrustone?
Yes, KEHONG BIO provides custom synthesis services for Derrustone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.