4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-
TL;DR: 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- (CAS 7521-38-2) is a chemical compound with molecular formula C9H10O3 and molecular weight 166.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-acetyl-2,6-dimethylpyran-4-one
Also Known As: 3-acetyl-2,6-dimethylpyran-4-one, 3-Acetyl-2,6-dimethyl-4H-pyran-4-one, 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-, 3-acetyl-2,6-dimethyl-pyran-4-one, 2,6-Dimethyl-3-acetyl-4H-pyran-4-one
| Molecular Formula | C9H10O3 |
|---|---|
| Molecular Weight | 166.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 166.06299 |
| Heavy Atoms | 12 |
| Complexity | 308.0 |
Chemical Identifiers
| CAS Number | 7521-38-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=C(O1)C)C(=O)C |
| InChIKey | JNYSEOXUKHMICE-UHFFFAOYSA-N |
Product Overview
4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- (CAS 7521-38-2), with molecular formula C9H10O3 and molecular weight 166.06 g/mol. IUPAC: 3-acetyl-2,6-dimethylpyran-4-one.
Chemical Property Profile of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-
Property Insights of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-. With a topological polar surface area (TPSA) of 43.4 Ų, 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- 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 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-?
The CAS number of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- is 7521-38-2.
What is the molecular formula of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-?
The molecular formula of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- is C9H10O3.
What is the molecular weight of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-?
The molecular weight of 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- is 166.06 g/mol.
Where can I buy 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-?
You can request a quote for 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-4-one, 3-acetyl-2,6-dimethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.