Khellinol
TL;DR: Khellinol (CAS 478-42-2) is a chemical compound with molecular formula C13H10O5 and molecular weight 246.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C13H10O5 |
|---|---|
| Molecular Weight | 246.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 246.05283 |
| Heavy Atoms | 18 |
| Complexity | 391.0 |
Chemical Identifiers
| CAS Number | 478-42-2 |
|---|---|
| SMILES | CC1=CC(=O)C2=C(O1)C(=C3C(=C2O)C=CO3)OC |
| InChIKey | GEYVZPGXYUDRSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Khellinol (CAS 478-42-2), with molecular formula C13H10O5 and molecular weight 246.05 g/mol. IUPAC: 4-hydroxy-9-methoxy-7-methylfuro[3,2-g]chromen-5-one.
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
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 246.05 g/mol.
Where can I buy Khellinol?
You can request a quote for Khellinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Khellinol?
Yes, KEHONG BIO provides custom synthesis services for Khellinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.