Drummondin D
TL;DR: Drummondin D (CAS 138169-52-5) is a chemical compound with molecular formula C28H32O8 and molecular weight 496.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-acetyl-4-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one
Also Known As: Drummondin D, (+)-drummondin D, 2-acetyl-4-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one, 2-acetyl-6-[(8-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-chromen-6-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-((8-acetyl-5,7-dihydroxy-2,2-dimethyl-2H-1-benzopyran-6-yl)methyl)-3,5-dihydroxy-4-methyl-4-(3-methyl-2-butenyl)-
| Molecular Formula | C28H32O8 |
|---|---|
| Molecular Weight | 496.21 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 496.20972 |
| Heavy Atoms | 36 |
| Complexity | 1090.0 |
Chemical Identifiers
| CAS Number | 138169-52-5 |
|---|---|
| SMILES | CC(=CCC1(C(=C(C(=C(C1=O)C(=O)C)O)CC2=C(C(=C3C(=C2O)C=CC(O3)(C)C)C(=O)C)O)O)C)C |
| InChIKey | LXQOEJUMZZHKAH-UHFFFAOYSA-N |
Product Overview
Drummondin D (CAS 138169-52-5), with molecular formula C28H32O8 and molecular weight 496.21 g/mol. IUPAC: 2-acetyl-4-[(8-acetyl-5,7-dihydroxy-2,2-dimethylchromen-6-yl)methyl]-3,5-dihydroxy-6-methyl-6-(3-methylbut-2-enyl)cyclohexa-2,4-dien-1-one.
Chemical Property Profile of Drummondin D
Property Insights of Drummondin D
The XLogP value of 4.5 indicates that Drummondin D is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting Drummondin D may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Drummondin 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
Frequently Asked Questions
What is the CAS number of Drummondin D?
The CAS number of Drummondin D is 138169-52-5.
What is the molecular formula of Drummondin D?
The molecular formula of Drummondin D is C28H32O8.
What is the molecular weight of Drummondin D?
The molecular weight of Drummondin D is 496.21 g/mol.
Where can I buy Drummondin D?
You can request a quote for Drummondin D directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Drummondin D?
Yes, KEHONG BIO provides custom synthesis services for Drummondin D and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.