Khellinone
TL;DR: Khellinone (CAS 484-51-5) is a chemical compound with molecular formula C12H12O5 and molecular weight 236.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)ethanone
Also Known As: Khellinone, Maybridge1_002164, 3-BROMOBUTYRICACID, 1-(6-hydroxy-4,7-dimethoxybenzofuran-5-yl)ethanone, 1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)ethanone
| Molecular Formula | C12H12O5 |
|---|---|
| Molecular Weight | 236.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 236.06847 |
| Heavy Atoms | 17 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 484-51-5 |
|---|---|
| SMILES | CC(=O)C1=C(C2=C(C(=C1O)OC)OC=C2)OC |
| InChIKey | GEUAWNMVARSYHO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Khellinone (CAS 484-51-5), with molecular formula C12H12O5 and molecular weight 236.07 g/mol. IUPAC: 1-(6-hydroxy-4,7-dimethoxy-1-benzofuran-5-yl)ethanone.
Chemical Property Profile of Khellinone
Property Insights of Khellinone
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Khellinone. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Khellinone. Following Lipinski's Rule of Five, Khellinone 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 Khellinone?
The CAS number of Khellinone is 484-51-5.
What is the molecular formula of Khellinone?
The molecular formula of Khellinone is C12H12O5.
What is the molecular weight of Khellinone?
The molecular weight of Khellinone is 236.07 g/mol.
Where can I buy Khellinone?
You can request a quote for Khellinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Khellinone?
Yes, KEHONG BIO provides custom synthesis services for Khellinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.