Omphalone
TL;DR: Omphalone (CAS 107320-38-7) is a chemical compound with molecular formula C11H8O3 and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylfuran-2-yl)cyclohexa-2,5-diene-1,4-dione
Also Known As: Omphalone, starbld0008606, 2-(4-methylfuran-2-yl)cyclohexa-2,5-diene-1,4-dione, 2-(4-Methylfuran-2-yl)-1,4-benzoquinone, 2-(4-methyl-2-furanyl)-1,4-benzoquinone
| Molecular Formula | C11H8O3 |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 47.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 188.04735 |
| Heavy Atoms | 14 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 107320-38-7 |
|---|---|
| SMILES | CC1=COC(=C1)C2=CC(=O)C=CC2=O |
| InChIKey | WFZJBXHYSHGECR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Omphalone (CAS 107320-38-7), with molecular formula C11H8O3 and molecular weight 188.05 g/mol. IUPAC: 2-(4-methylfuran-2-yl)cyclohexa-2,5-diene-1,4-dione.
Chemical Property Profile of Omphalone
Property Insights of Omphalone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Omphalone. With a topological polar surface area (TPSA) of 47.3 Ų, Omphalone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Omphalone 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 Omphalone?
The CAS number of Omphalone is 107320-38-7.
What is the molecular formula of Omphalone?
The molecular formula of Omphalone is C11H8O3.
What is the molecular weight of Omphalone?
The molecular weight of Omphalone is 188.05 g/mol.
Where can I buy Omphalone?
You can request a quote for Omphalone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Omphalone?
Yes, KEHONG BIO provides custom synthesis services for Omphalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.