Dehydroeupatundin
TL;DR: Dehydroeupatundin (CAS 21893-31-2) is a chemical compound with molecular formula C20H22O7 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-hydroxy-14-methyl-5,9-dimethylidene-4,11-dioxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) 2-methylbut-2-enoate
Also Known As: Dehydroeupatundin
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.0096 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 374.13657 |
| Heavy Atoms | 27 |
| Complexity | 839.2683 |
Chemical Identifiers
| CAS Number | 21893-31-2 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC(=C)C2C(=O)C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C |
Product Overview
Dehydroeupatundin (CAS 21893-31-2), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: (1-hydroxy-14-methyl-5,9-dimethylidene-4,11-dioxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradecan-7-yl) 2-methylbut-2-enoate.
Chemical Property Profile of Dehydroeupatundin
Property Insights of Dehydroeupatundin
The XLogP value of 1.0096 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dehydroeupatundin. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Dehydroeupatundin. Following Lipinski's Rule of Five, Dehydroeupatundin has 1 hydrogen bond donor(s) and 7 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 Dehydroeupatundin?
The CAS number of Dehydroeupatundin is 21893-31-2.
What is the molecular formula of Dehydroeupatundin?
The molecular formula of Dehydroeupatundin is C20H22O7.
What is the molecular weight of Dehydroeupatundin?
The molecular weight of Dehydroeupatundin is 374.14 g/mol.
Where can I buy Dehydroeupatundin?
You can request a quote for Dehydroeupatundin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dehydroeupatundin?
Yes, KEHONG BIO provides custom synthesis services for Dehydroeupatundin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.