Isodehydroeupatundin
TL;DR: Isodehydroeupatundin (CAS 85526-57-4) 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-9,14-dimethyl-5-methylidene-4,11-dioxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) (Z)-2-methylbut-2-enoate
Also Known As: Isodehydroeupatundin, 8b-Hydroxy-6,8a-dimethyl-3-methylidene-2,7-dioxo-2,3,3a,4,5,7,7a,8a,8b,8c-decahydrooxireno[2,3]azuleno[4,5-b]furan-4-yl (2Z)-2-methylbut-2-enoate
| Molecular Formula | C20H22O7 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 1.1537 |
| 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 | 865.556 |
Chemical Identifiers
| CAS Number | 85526-57-4 |
|---|---|
| SMILES | C/C=C(/C)\C(=O)OC1CC(=C2C(=O)C3C(C2(C4C1C(=C)C(=O)O4)O)(O3)C)C |
Product Overview
Isodehydroeupatundin (CAS 85526-57-4), with molecular formula C20H22O7 and molecular weight 374.14 g/mol. IUPAC: (1-hydroxy-9,14-dimethyl-5-methylidene-4,11-dioxo-3,13-dioxatetracyclo[8.4.0.02,6.012,14]tetradec-9-en-7-yl) (Z)-2-methylbut-2-enoate.
Chemical Property Profile of Isodehydroeupatundin
Property Insights of Isodehydroeupatundin
The XLogP value of 1.1537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isodehydroeupatundin. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Isodehydroeupatundin. Following Lipinski's Rule of Five, Isodehydroeupatundin 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 Isodehydroeupatundin?
The CAS number of Isodehydroeupatundin is 85526-57-4.
What is the molecular formula of Isodehydroeupatundin?
The molecular formula of Isodehydroeupatundin is C20H22O7.
What is the molecular weight of Isodehydroeupatundin?
The molecular weight of Isodehydroeupatundin is 374.14 g/mol.
Where can I buy Isodehydroeupatundin?
You can request a quote for Isodehydroeupatundin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isodehydroeupatundin?
Yes, KEHONG BIO provides custom synthesis services for Isodehydroeupatundin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.