Eupatolide
TL;DR: Eupatolide (CAS 6750-25-0) is a chemical compound with molecular formula C15H20O3 and molecular weight 248.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
Also Known As: Eupatolide, NEOBRITANNILACTONE B, 8beta-hydroxy-costunolide, 4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one, 4-hydroxy-6,10-dimethyl-3-methylene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one
| Molecular Formula | C15H20O3 |
|---|---|
| Molecular Weight | 248.14 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 248.14125 |
| Heavy Atoms | 18 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 6750-25-0 |
|---|---|
| SMILES | CC1=CC2C(C(CC(=CCC1)C)O)C(=C)C(=O)O2 |
| InChIKey | PDEJECFRCJOMEN-UHFFFAOYSA-N |
Product Overview
Eupatolide (CAS 6750-25-0), with molecular formula C15H20O3 and molecular weight 248.14 g/mol. IUPAC: 4-hydroxy-6,10-dimethyl-3-methylidene-3a,4,5,8,9,11a-hexahydrocyclodeca[b]furan-2-one.
Chemical Property Profile of Eupatolide
Property Insights of Eupatolide
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Eupatolide. With a topological polar surface area (TPSA) of 46.5 Ų, Eupatolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Eupatolide has 1 hydrogen bond donor(s) and 3 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 Eupatolide?
The CAS number of Eupatolide is 6750-25-0.
What is the molecular formula of Eupatolide?
The molecular formula of Eupatolide is C15H20O3.
What is the molecular weight of Eupatolide?
The molecular weight of Eupatolide is 248.14 g/mol.
Where can I buy Eupatolide?
You can request a quote for Eupatolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Eupatolide?
Yes, KEHONG BIO provides custom synthesis services for Eupatolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.