Isodrummondin D
TL;DR: Isodrummondin D (CAS 138169-53-6) is a chemical compound with molecular formula C28H32O8 and molecular weight 496.20972 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-acetyl-4-[(6-acetyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: Isodrummondin D, (+)-isodrummondin D, 2-acetyl-4-[(6-acetyl-5,7-dihydroxy-2,2-dimethylchromen-8-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one, 2-acetyl-6-[(6-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-8-yl)methyl]-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-((6-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-8-yl)methyl)-3,5-dihydroxy-4-methyl-4-(3-methyl-2-butenyl)-
Technical Specifications
| Molecular Formula | C28H32O8 |
| Molecular Weight | 496.20972 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.20972 Da |
| Heavy Atoms | 36 |
| Complexity | 1090.0 |
| SMILES | CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C3C(=C(C(=C2O)C(=O)C)O)C=CC(O3)(C)C)O)C)C |
| InChIKey | VVSLJOYXCCVDIR-UHFFFAOYSA-N |
Chemical Property Profile of Isodrummondin D
Property Insights of Isodrummondin D
The XLogP value of 4.5 indicates that Isodrummondin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Isodrummondin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Isodrummondin D 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 Isodrummondin D?
The CAS number of Isodrummondin D is 138169-53-6.
What is the molecular formula of Isodrummondin D?
The molecular formula of Isodrummondin D is C28H32O8.
What is the molecular weight of Isodrummondin D?
The molecular weight of Isodrummondin D is 496.20972 g/mol.
Where can I buy Isodrummondin D?
You can request a quote for Isodrummondin D directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Isodrummondin D?
Yes, CoreyChem provides custom synthesis services for Isodrummondin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.