Elemanolide
TL;DR: Elemanolide (CAS 56064-68-7) is a chemical compound with molecular formula C17H22O4 and molecular weight 290.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl) acetate
Also Known As: Elemanolide, Epitulipdienolide, 4-Cyano-2(1H)-pyridone, (6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl) acetate, (6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-benzofuran-4-yl) acetate
| Molecular Formula | C17H22O4 |
|---|---|
| Molecular Weight | 290.15 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 290.1518 |
| Heavy Atoms | 21 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 56064-68-7 |
|---|---|
| SMILES | CC(=C)C1C2C(C(CC1(C)C=C)OC(=O)C)C(=C)C(=O)O2 |
| InChIKey | OTDCMOJEHBGCAO-UHFFFAOYSA-N |
Product Overview
Elemanolide (CAS 56064-68-7), with molecular formula C17H22O4 and molecular weight 290.15 g/mol. IUPAC: (6-ethenyl-6-methyl-3-methylidene-2-oxo-7-prop-1-en-2-yl-4,5,7,7a-tetrahydro-3aH-1-benzofuran-4-yl) acetate.
Chemical Property Profile of Elemanolide
Property Insights of Elemanolide
The XLogP value of 3.7 indicates that Elemanolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Elemanolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Elemanolide has 0 hydrogen bond donor(s) and 4 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 Elemanolide?
The CAS number of Elemanolide is 56064-68-7.
What is the molecular formula of Elemanolide?
The molecular formula of Elemanolide is C17H22O4.
What is the molecular weight of Elemanolide?
The molecular weight of Elemanolide is 290.15 g/mol.
Where can I buy Elemanolide?
You can request a quote for Elemanolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Elemanolide?
Yes, KEHONG BIO provides custom synthesis services for Elemanolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.