Wilforonide
TL;DR: Wilforonide (CAS 104331-87-5) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5aR,9aR)-5a-methyl-4,5,6,8,9,9a-hexahydro-1H-benzo[e][2]benzofuran-3,7-dione
Also Known As: Wilforonide, (-)-Wilforonide, KST-1A0652, (5ar,9ar)-5a-methyl-4,5a,6,8,9,9a-hexahydronaphtho[1,2-c]furan-3,7(1h,5h)-dione, (5aR,9aR)-5a-methyl-4,5,6,8,9,9a-hexahydro-1H-benzo[e][2]benzofuran-3,7-dione
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 104331-87-5 |
|---|---|
| SMILES | C[C@]12CCC3=C([C@@H]1CCC(=O)C2)COC3=O |
| InChIKey | OCLUXIQGSXDQNA-WCQYABFASA-N |
Product Overview
Wilforonide (CAS 104331-87-5), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: (5aR,9aR)-5a-methyl-4,5,6,8,9,9a-hexahydro-1H-benzo[e][2]benzofuran-3,7-dione.
Chemical Property Profile of Wilforonide
Property Insights of Wilforonide
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Wilforonide. With a topological polar surface area (TPSA) of 43.4 Ų, Wilforonide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Wilforonide 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 Wilforonide?
The CAS number of Wilforonide is 104331-87-5.
What is the molecular formula of Wilforonide?
The molecular formula of Wilforonide is C13H16O3.
What is the molecular weight of Wilforonide?
The molecular weight of Wilforonide is 220.11 g/mol.
Where can I buy Wilforonide?
You can request a quote for Wilforonide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Wilforonide?
Yes, KEHONG BIO provides custom synthesis services for Wilforonide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.