2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one
TL;DR: 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one (CAS 63752-75-0) is a chemical compound with molecular formula C11H16O2 and molecular weight 180.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-diethyl-3,5-dimethylpyran-4-one
Also Known As: 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one, 2,6-diethyl-3,5-dimethylpyran-4-one, 2,6-Diethyl-3,5-dimethyl-4-pyranone, 4H-Pyran-4-one, 2,6-diethyl-3,5-dimethyl-, 1-tert-butylsulfanylsulfinyl-4-chlorobenzene
| Molecular Formula | C11H16O2 |
|---|---|
| Molecular Weight | 180.12 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 180.11504 |
| Heavy Atoms | 13 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 63752-75-0 |
|---|---|
| SMILES | CCC1=C(C(=O)C(=C(O1)CC)C)C |
| InChIKey | ZEIKNCDRPCIWJZ-UHFFFAOYSA-N |
Product Overview
2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one (CAS 63752-75-0), with molecular formula C11H16O2 and molecular weight 180.12 g/mol. IUPAC: 2,6-diethyl-3,5-dimethylpyran-4-one.
Chemical Property Profile of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one
Property Insights of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one 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-Diethyl-3,5-dimethyl-4H-pyran-4-one?
The CAS number of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one is 63752-75-0.
What is the molecular formula of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one?
The molecular formula of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one is C11H16O2.
What is the molecular weight of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one?
The molecular weight of 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one is 180.12 g/mol.
Where can I buy 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one?
You can request a quote for 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Diethyl-3,5-dimethyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.