Eupatoriopicrin
TL;DR: Eupatoriopicrin (CAS 6856-01-5) is a chemical compound with molecular formula C20H26O6 and molecular weight 362.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
Also Known As: Eupatoriopicrin, Eupatoriopicrine, [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate, ((3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate, ((3aR,4R,6Z,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca(b)furan-4-yl) (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate
| Molecular Formula | C20H26O6 |
|---|---|
| Molecular Weight | 362.17 g/mol |
| LogP | 1.9835 |
| Topological Polar Surface Area | 93.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 362.17294 |
| Heavy Atoms | 26 |
| Complexity | 669.7889 |
Chemical Identifiers
| CAS Number | 6856-01-5 |
|---|---|
| SMILES | C/C/1=C\[C@@H]2[C@@H]([C@@H](C/C(=C/CC1)/C)OC(=O)/C(=C/CO)/CO)C(=C)C(=O)O2 |
Product Overview
Eupatoriopicrin (CAS 6856-01-5), with molecular formula C20H26O6 and molecular weight 362.17 g/mol. IUPAC: [(3aR,4R,6E,10E,11aR)-6,10-dimethyl-3-methylidene-2-oxo-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-4-yl] (E)-4-hydroxy-2-(hydroxymethyl)but-2-enoate.
Chemical Property Profile of Eupatoriopicrin
Property Insights of Eupatoriopicrin
The XLogP value of 1.9835 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eupatoriopicrin. The TPSA of 93.06 Ų falls within the moderate polarity range, balancing permeability and solubility for Eupatoriopicrin. Following Lipinski's Rule of Five, Eupatoriopicrin has 2 hydrogen bond donor(s) and 6 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 Eupatoriopicrin?
The CAS number of Eupatoriopicrin is 6856-01-5.
What is the molecular formula of Eupatoriopicrin?
The molecular formula of Eupatoriopicrin is C20H26O6.
What is the molecular weight of Eupatoriopicrin?
The molecular weight of Eupatoriopicrin is 362.17 g/mol.
Where can I buy Eupatoriopicrin?
You can request a quote for Eupatoriopicrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eupatoriopicrin?
Yes, KEHONG BIO provides custom synthesis services for Eupatoriopicrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.