Xerantholide
TL;DR: Xerantholide (CAS 65017-97-2) is a chemical compound with molecular formula C15H18O3 and molecular weight 246.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione
Also Known As: Xerantholide, XERANTOLIDE, MEGxp0_000496, ACon0_000308, ACon1_000203
| Molecular Formula | C15H18O3 |
|---|---|
| Molecular Weight | 246.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.1256 |
| Heavy Atoms | 18 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 65017-97-2 |
|---|---|
| SMILES | C[C@H]1C[C@H]2[C@H](CC3=C(C(=O)C[C@@H]13)C)C(=C)C(=O)O2 |
| InChIKey | UQNONRHPSCIIJO-BNYHBGRESA-N |
Product Overview
Xerantholide (CAS 65017-97-2), with molecular formula C15H18O3 and molecular weight 246.13 g/mol. IUPAC: (3aS,5S,5aS,9aR)-5,8-dimethyl-1-methylidene-4,5,5a,6,9,9a-hexahydro-3aH-azuleno[6,5-b]furan-2,7-dione.
Chemical Property Profile of Xerantholide
Property Insights of Xerantholide
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Xerantholide. With a topological polar surface area (TPSA) of 43.4 Ų, Xerantholide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Xerantholide has 0 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 Xerantholide?
The CAS number of Xerantholide is 65017-97-2.
What is the molecular formula of Xerantholide?
The molecular formula of Xerantholide is C15H18O3.
What is the molecular weight of Xerantholide?
The molecular weight of Xerantholide is 246.13 g/mol.
Where can I buy Xerantholide?
You can request a quote for Xerantholide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xerantholide?
Yes, KEHONG BIO provides custom synthesis services for Xerantholide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.