Derrubone
TL;DR: Derrubone (CAS 22044-58-2) is a chemical compound with molecular formula C21H18O6 and molecular weight 366.11 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-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one
Also Known As: derrubone, Spectrum2_000048, Spectrum3_000230, Spectrum4_000946, Spectrum5_001728
| Molecular Formula | C21H18O6 |
|---|---|
| Molecular Weight | 366.11 g/mol |
| LogP | 4.1086 |
| Topological Polar Surface Area | 89.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 366.11035 |
| Heavy Atoms | 27 |
| Complexity | 1135.5975 |
Chemical Identifiers
| CAS Number | 22044-58-2 |
|---|---|
| SMILES | CC(=CCC1=C(C2=C(C=C1O)OC=C(C2=O)C3=CC4=C(C=C3)OCO4)O)C |
Product Overview
Derrubone (CAS 22044-58-2), with molecular formula C21H18O6 and molecular weight 366.11 g/mol. IUPAC: 3-(1,3-benzodioxol-5-yl)-5,7-dihydroxy-6-(3-methylbut-2-enyl)chromen-4-one.
Chemical Property Profile of Derrubone
Property Insights of Derrubone
The XLogP value of 4.1086 indicates that Derrubone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.13 Ų falls within the moderate polarity range, balancing permeability and solubility for Derrubone. Following Lipinski's Rule of Five, Derrubone has 2 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 Derrubone?
The CAS number of Derrubone is 22044-58-2.
What is the molecular formula of Derrubone?
The molecular formula of Derrubone is C21H18O6.
What is the molecular weight of Derrubone?
The molecular weight of Derrubone is 366.11 g/mol.
Where can I buy Derrubone?
You can request a quote for Derrubone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Derrubone?
Yes, KEHONG BIO provides custom synthesis services for Derrubone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.