Drummondin E
TL;DR: Drummondin E (CAS 138169-54-7) is a chemical compound with molecular formula C28H34O8 and molecular weight 498.22537 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: Drummondin E, (+)-drummondin E, 2-acetyl-4-[[3-acetyl-2,4-dihydroxy-6-(3-methylbut-2-enoxy)phenyl]methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one, 2-acetyl-6-{3-acetyl-2,4-dihydroxy-6-[(3-methylbut-2-en-1-yl)oxy]benzyl}-3,5-dihydroxy-4-methyl-4-(3-methylbut-2-en-1-yl)cyclohexa-2,5-dien-1-one, 2,5-Cyclohexadien-1-one, 2-acetyl-6-((3-acetyl-2,4-dihydroxy-6-((3-methyl-2-butenyl)oxy)phenyl)methyl)-3,5-dihydroxy-4-methyl-4-(3-methyl-2-butenyl)-
Technical Specifications
| Molecular Formula | C28H34O8 |
| Molecular Weight | 498.22537 g/mol |
| XLogP | 5.0 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 498.22537 Da |
| Heavy Atoms | 36 |
| Complexity | 1020.0 |
| SMILES | CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C=C(C(=C2O)C(=O)C)O)OCC=C(C)C)O)C)C |
| InChIKey | ZEDVRLBQCALAJC-UHFFFAOYSA-N |
Chemical Property Profile of Drummondin E
Property Insights of Drummondin E
The XLogP value of 5.0 indicates that Drummondin E is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Drummondin E may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Drummondin E has 4 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Drummondin E?
The CAS number of Drummondin E is 138169-54-7.
What is the molecular formula of Drummondin E?
The molecular formula of Drummondin E is C28H34O8.
What is the molecular weight of Drummondin E?
The molecular weight of Drummondin E is 498.22537 g/mol.
Where can I buy Drummondin E?
You can request a quote for Drummondin E directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Drummondin E?
Yes, CoreyChem provides custom synthesis services for Drummondin E and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.