Dehydrailanthinone 1-methyl ether
TL;DR: Dehydrailanthinone 1-methyl ether (CAS 53683-71-9) is a chemical compound with molecular formula C26H34O9 and molecular weight 490.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-dihydroxy-17-methoxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate
Also Known As: Dehydrailanthinone 1-methyl ether, .DELTA.13-Dehydroailanthinone methyl ether, 11,12-Dihydroxy-1-methoxy-2,16-dioxo-11,20-epoxypicrasa-3,13(21)-dien-15-yl 2-methylbutanoate
| Molecular Formula | C26H34O9 |
|---|---|
| Molecular Weight | 490.22 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 490.22028 |
| Heavy Atoms | 35 |
| Complexity | 1030.0 |
Chemical Identifiers
| CAS Number | 53683-71-9 |
|---|---|
| SMILES | CCC(C)C(=O)OC1C2C(=C)C(C3(C4C2(CO3)C(CC5C4(C(C(=O)C=C5C)OC)C)OC1=O)O)O |
| InChIKey | CAAOPESQOADYQF-UHFFFAOYSA-N |
Product Overview
Dehydrailanthinone 1-methyl ether (CAS 53683-71-9), with molecular formula C26H34O9 and molecular weight 490.22 g/mol. IUPAC: (4,5-dihydroxy-17-methoxy-14,18-dimethyl-6-methylidene-9,16-dioxo-3,10-dioxapentacyclo[9.8.0.01,7.04,19.013,18]nonadec-14-en-8-yl) 2-methylbutanoate.
Chemical Property Profile of Dehydrailanthinone 1-methyl ether
Property Insights of Dehydrailanthinone 1-methyl ether
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydrailanthinone 1-methyl ether. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydrailanthinone 1-methyl ether. Following Lipinski's Rule of Five, Dehydrailanthinone 1-methyl ether has 2 hydrogen bond donor(s) and 9 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 Dehydrailanthinone 1-methyl ether?
The CAS number of Dehydrailanthinone 1-methyl ether is 53683-71-9.
What is the molecular formula of Dehydrailanthinone 1-methyl ether?
The molecular formula of Dehydrailanthinone 1-methyl ether is C26H34O9.
What is the molecular weight of Dehydrailanthinone 1-methyl ether?
The molecular weight of Dehydrailanthinone 1-methyl ether is 490.22 g/mol.
Where can I buy Dehydrailanthinone 1-methyl ether?
You can request a quote for Dehydrailanthinone 1-methyl ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydrailanthinone 1-methyl ether?
Yes, KEHONG BIO provides custom synthesis services for Dehydrailanthinone 1-methyl ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.