2-Methyl-4-oxo-4H-pyran-3-yl acetate
TL;DR: 2-Methyl-4-oxo-4H-pyran-3-yl acetate (CAS 28787-36-2) is a chemical compound with molecular formula C8H8O4 and molecular weight 168.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxopyran-3-yl) acetate
Also Known As: Maltol acetate, Maltolacetate, 2-Methyl-4-oxo-4H-pyran-3-yl acetate, O-Acetylmaltol, Maltol Impurity 15
| Molecular Formula | C8H8O4 |
|---|---|
| Molecular Weight | 168.04 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 168.04225 |
| Heavy Atoms | 12 |
| Complexity | 285.0 |
Chemical Identifiers
| CAS Number | 28787-36-2 |
|---|---|
| SMILES | CC1=C(C(=O)C=CO1)OC(=O)C |
| InChIKey | NRQULFRLDJKNGP-UHFFFAOYSA-N |
Product Overview
2-Methyl-4-oxo-4H-pyran-3-yl acetate (CAS 28787-36-2), with molecular formula C8H8O4 and molecular weight 168.04 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) acetate.
Chemical Property Profile of 2-Methyl-4-oxo-4H-pyran-3-yl acetate
Property Insights of 2-Methyl-4-oxo-4H-pyran-3-yl acetate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methyl-4-oxo-4H-pyran-3-yl acetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Methyl-4-oxo-4H-pyran-3-yl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-4-oxo-4H-pyran-3-yl acetate 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 2-Methyl-4-oxo-4H-pyran-3-yl acetate?
The CAS number of 2-Methyl-4-oxo-4H-pyran-3-yl acetate is 28787-36-2.
What is the molecular formula of 2-Methyl-4-oxo-4H-pyran-3-yl acetate?
The molecular formula of 2-Methyl-4-oxo-4H-pyran-3-yl acetate is C8H8O4.
What is the molecular weight of 2-Methyl-4-oxo-4H-pyran-3-yl acetate?
The molecular weight of 2-Methyl-4-oxo-4H-pyran-3-yl acetate is 168.04 g/mol.
Where can I buy 2-Methyl-4-oxo-4H-pyran-3-yl acetate?
You can request a quote for 2-Methyl-4-oxo-4H-pyran-3-yl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-4-oxo-4H-pyran-3-yl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-4-oxo-4H-pyran-3-yl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.