Drummondin A
TL;DR: Drummondin A (CAS 119171-76-5) is a chemical compound with molecular formula C26H30O8 and molecular weight 470.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5,7-dihydroxy-2,2-dimethyl-8-propanoylchromen-6-yl)methyl]-3,5-dihydroxy-6,6-dimethyl-2-propanoylcyclohexa-2,4-dien-1-one
Also Known As: Drummondin A, J2.767.792D, 4-[(5,7-dihydroxy-2,2-dimethyl-8-propanoyl-chromen-6-yl)methyl]-3,5-dihydroxy-6,6-dimethyl-2-propanoyl-cyclohexa-2,4-dien-1-one, 2-[(5,7-Dihydroxy-2,2-dimethyl-8-propanoyl-2H-1-benzopyran-6-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-6-propanoyl-2,5-cyclohexadiene-1-one, 2-[(5,7-dihydroxy-2,2-dimethyl-8-propanoyl-2H-chromen-6-yl)methyl]-3,5-dihydroxy-4,4-dimethyl-6-propanoylcyclohexa-2,5-dien-1-one
| Molecular Formula | C26H30O8 |
|---|---|
| Molecular Weight | 470.19 g/mol |
| LogP | 4.6294 |
| Topological Polar Surface Area | 141.36 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 470.19406 |
| Heavy Atoms | 34 |
| Complexity | 1207.89 |
Chemical Identifiers
| CAS Number | 119171-76-5 |
|---|---|
| SMILES | CCC(=O)C1=C(C(=C(C(C1=O)(C)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)CC)O)O |
Product Overview
Drummondin A (CAS 119171-76-5), with molecular formula C26H30O8 and molecular weight 470.19 g/mol. IUPAC: 4-[(5,7-dihydroxy-2,2-dimethyl-8-propanoylchromen-6-yl)methyl]-3,5-dihydroxy-6,6-dimethyl-2-propanoylcyclohexa-2,4-dien-1-one.
Chemical Property Profile of Drummondin A
Property Insights of Drummondin A
The XLogP value of 4.6294 indicates that Drummondin A is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.36 Ų indicates high polarity, suggesting Drummondin A may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Drummondin A 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
Frequently Asked Questions
What is the CAS number of Drummondin A?
The CAS number of Drummondin A is 119171-76-5.
What is the molecular formula of Drummondin A?
The molecular formula of Drummondin A is C26H30O8.
What is the molecular weight of Drummondin A?
The molecular weight of Drummondin A is 470.19 g/mol.
Where can I buy Drummondin A?
You can request a quote for Drummondin A directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Drummondin A?
Yes, KEHONG BIO provides custom synthesis services for Drummondin A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.