3,5-Diacetyl-2,6-dimethyloxan-4-one
TL;DR: 3,5-Diacetyl-2,6-dimethyloxan-4-one (CAS 55030-66-5) is a chemical compound with molecular formula C11H16O4 and molecular weight 212.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-diacetyl-2,6-dimethyloxan-4-one
Also Known As: 3,5-diacetyl-2,6-dimethyloxan-4-one, 4H-Pyran-4-one, 3,5-diacetyltetrahydro-2,6-dimethyl-, 3,5-Diacetyl-2,3,5,6-tetrahydro-2,6-dimethyl-4H-pyran-4-one, 3,5-Diacetyl-2,6-dimethyltetrahydro-4H-pyran-4-one, 3,5-Diacetyl-2,6-dimethyltetrahydro-4H-pyran-4-one #
| Molecular Formula | C11H16O4 |
|---|---|
| Molecular Weight | 212.10 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 60.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 212.10486 |
| Heavy Atoms | 15 |
| Complexity | 280.0 |
Chemical Identifiers
| CAS Number | 55030-66-5 |
|---|---|
| SMILES | CC1C(C(=O)C(C(O1)C)C(=O)C)C(=O)C |
| InChIKey | ONUGATOLIKUXKP-UHFFFAOYSA-N |
Product Overview
3,5-Diacetyl-2,6-dimethyloxan-4-one (CAS 55030-66-5), with molecular formula C11H16O4 and molecular weight 212.10 g/mol. IUPAC: 3,5-diacetyl-2,6-dimethyloxan-4-one.
Chemical Property Profile of 3,5-Diacetyl-2,6-dimethyloxan-4-one
Property Insights of 3,5-Diacetyl-2,6-dimethyloxan-4-one
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Diacetyl-2,6-dimethyloxan-4-one. The TPSA of 60.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,5-Diacetyl-2,6-dimethyloxan-4-one. Following Lipinski's Rule of Five, 3,5-Diacetyl-2,6-dimethyloxan-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-dimethyloxan-4-one?
The CAS number of 3,5-Diacetyl-2,6-dimethyloxan-4-one is 55030-66-5.
What is the molecular formula of 3,5-Diacetyl-2,6-dimethyloxan-4-one?
The molecular formula of 3,5-Diacetyl-2,6-dimethyloxan-4-one is C11H16O4.
What is the molecular weight of 3,5-Diacetyl-2,6-dimethyloxan-4-one?
The molecular weight of 3,5-Diacetyl-2,6-dimethyloxan-4-one is 212.10 g/mol.
Where can I buy 3,5-Diacetyl-2,6-dimethyloxan-4-one?
You can request a quote for 3,5-Diacetyl-2,6-dimethyloxan-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-dimethyloxan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Diacetyl-2,6-dimethyloxan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.