3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one
TL;DR: 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one (CAS 19396-77-1) is a chemical compound with molecular formula C11H12O4 and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetyl-2,6-dimethylpyran-4-one
Also Known As: 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one, 3,5-diacetyl-2,6-dimethylpyran-4-one, 4H-Pyran-4-one, 3,5-diacetyl-2,6-dimethyl-, 3,5-Diacetyl-2,6-dimethyl-I(3)-piron, 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one #
| Molecular Formula | C11H12O4 |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.07356 |
| Heavy Atoms | 15 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 19396-77-1 |
|---|---|
| SMILES | CC1=C(C(=O)C(=C(O1)C)C(=O)C)C(=O)C |
| InChIKey | XFJIXARLDYKCPG-UHFFFAOYSA-N |
Product Overview
3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one (CAS 19396-77-1), with molecular formula C11H12O4 and molecular weight 208.07 g/mol. IUPAC: 3,5-diacetyl-2,6-dimethylpyran-4-one.
Chemical Property Profile of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one
Property Insights of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one. Following Lipinski's Rule of Five, 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one has 0 hydrogen bond donor(s) and 4 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 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one?
The CAS number of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one is 19396-77-1.
What is the molecular formula of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one?
The molecular formula of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one is C11H12O4.
What is the molecular weight of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one?
The molecular weight of 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one is 208.07 g/mol.
Where can I buy 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one?
You can request a quote for 3,5-Diacetyl-2,6-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 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetyl-2,6-dimethyl-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.