2,6-Dimethyl-4-pyranone
TL;DR: 2,6-Dimethyl-4-pyranone (CAS 1004-36-0) is a chemical compound with molecular formula C7H8O2 and molecular weight 124.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dimethylpyran-4-one
Also Known As: 2,6-Dimethyl-4H-pyran-4-one, 2,6-Dimethyl-4-pyrone, 2,6-Dimethyl-gamma-pyrone, 2,6-Dimethyl-4-pyranone, 2,6-dimethylpyran-4-one
| Molecular Formula | C7H8O2 |
|---|---|
| Molecular Weight | 124.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 124.05243 |
| Heavy Atoms | 9 |
| Complexity | 179.0 |
Chemical Identifiers
| CAS Number | 1004-36-0 |
|---|---|
| SMILES | CC1=CC(=O)C=C(O1)C |
| InChIKey | VSYFZULSKMFUJJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-Dimethyl-4-pyranone (CAS 1004-36-0), with molecular formula C7H8O2 and molecular weight 124.05 g/mol. IUPAC: 2,6-dimethylpyran-4-one.
Chemical Property Profile of 2,6-Dimethyl-4-pyranone
Property Insights of 2,6-Dimethyl-4-pyranone
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Dimethyl-4-pyranone. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Dimethyl-4-pyranone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dimethyl-4-pyranone has 0 hydrogen bond donor(s) and 2 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 2,6-Dimethyl-4-pyranone?
The CAS number of 2,6-Dimethyl-4-pyranone is 1004-36-0.
What is the molecular formula of 2,6-Dimethyl-4-pyranone?
The molecular formula of 2,6-Dimethyl-4-pyranone is C7H8O2.
What is the molecular weight of 2,6-Dimethyl-4-pyranone?
The molecular weight of 2,6-Dimethyl-4-pyranone is 124.05 g/mol.
Where can I buy 2,6-Dimethyl-4-pyranone?
You can request a quote for 2,6-Dimethyl-4-pyranone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dimethyl-4-pyranone?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dimethyl-4-pyranone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.