2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one
TL;DR: 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one (CAS 68555-63-5) is a chemical compound with molecular formula C9H10O4 and molecular weight 182.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methyl-4-oxopyran-3-yl) propanoate
Also Known As: Maltol propionate, Maltolpropionate, maltyl propionate, 2-Methyl-4-oxo-4H-pyran-3-yl propionate, VELTOL PROPIONATE
| Molecular Formula | C9H10O4 |
|---|---|
| Molecular Weight | 182.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.0579 |
| Heavy Atoms | 13 |
| Complexity | 299.0 |
| Boiling Point | 153.00 °C. @ 1.00 mm Hg |
| Solubility | Insoluble in water; Soluble in fats |
Chemical Identifiers
| CAS Number | 68555-63-5 |
|---|---|
| SMILES | CCC(=O)OC1=C(OC=CC1=O)C |
| InChIKey | NBKYPRRBTKRGLE-UHFFFAOYSA-N |
Product Overview
2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one (CAS 68555-63-5), with molecular formula C9H10O4 and molecular weight 182.06 g/mol. IUPAC: (2-methyl-4-oxopyran-3-yl) propanoate.
Chemical Property Profile of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one
Property Insights of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one. With a topological polar surface area (TPSA) of 52.6 Ų, 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-methyl-3-(1-oxopropoxy)-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 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one?
The CAS number of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one is 68555-63-5.
What is the molecular formula of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one?
The molecular formula of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one is C9H10O4.
What is the molecular weight of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one?
The molecular weight of 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one is 182.06 g/mol.
Where can I buy 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one?
You can request a quote for 2-methyl-3-(1-oxopropoxy)-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-methyl-3-(1-oxopropoxy)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-methyl-3-(1-oxopropoxy)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.