Khellinol
TL;DR: Khellinol (CAS 478-42-2) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05283 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
Also Known As: KHELLINOL, 5-Norkhellin, 5-hydroxykhellin, 4-Hydroxy-9-methoxy-7-methyl-5H-furo[3,2-g]chromen-5-one, 4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H10O5 |
| Molecular Weight | 246.05283 g/mol |
| XLogP | 2.5 |
| Topological Polar Surface Area (TPSA) | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.05283 Da |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
| SMILES | CC1=CC(=O)C2=C(O1)C(=C3C(=C2O)C=CO3)OC |
| InChIKey | GEYVZPGXYUDRSN-UHFFFAOYSA-N |
Product Description
Applications: Khellinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Khellinol (CAS 478-42-2) is a pharmaceutical intermediate with the molecular formula C13H10O5 and a molecular weight of 246.05 g/mol. Synonyms include KHELLINOL and 5-Norkhellin.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Khellinol
Property Insights of Khellinol
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Khellinol. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Khellinol. Following Lipinski's Rule of Five, Khellinol has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Khellinol?
The CAS number of Khellinol is 478-42-2.
What is the molecular formula of Khellinol?
The molecular formula of Khellinol is C13H10O5.
What is the molecular weight of Khellinol?
The molecular weight of Khellinol is 246.05283 g/mol.
What are the applications of Khellinol?
Khellinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Khellinol?
You can request a quote for Khellinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Khellinol?
Yes, CoreyChem provides custom synthesis services for Khellinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.