4H-pyran-4-one
TL;DR: 4H-pyran-4-one (CAS 108-97-4) is a chemical compound with molecular formula C5H4O2 and molecular weight 96.021126 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
pyran-4-one
Also Known As: 4H-PYRAN-4-ONE, gamma-Pyrone, Pyran-4-one, 4-Pyrone, .gamma.-Pyrone
Application Areas
Top 5 of 14 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4O2 |
| Molecular Weight | 96.021126 g/mol |
| XLogP | 0.1 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 96.021126 Da |
| Heavy Atoms | 7 |
| Complexity | 119.0 |
| SMILES | C1=COC=CC1=O |
| InChIKey | CVQUWLDCFXOXEN-UHFFFAOYSA-N |
Product Description
Applications: 4H-pyran-4-one is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4H-pyran-4-one (CAS 108-97-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, 4H-pyran-4-one (CAS 108-97-4) has the molecular formula C5H4O2 and a molecular weight of 96.02 g/mol. It is also known as 4H-PYRAN-4-ONE and gamma-Pyrone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of 4H-pyran-4-one
Property Insights of 4H-pyran-4-one
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-pyran-4-one. With a topological polar surface area (TPSA) of 26.3 Ų, 4H-pyran-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-pyran-4-one has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-pyran-4-one?
The CAS number of 4H-pyran-4-one is 108-97-4.
What is the molecular formula of 4H-pyran-4-one?
The molecular formula of 4H-pyran-4-one is C5H4O2.
What is the molecular weight of 4H-pyran-4-one?
The molecular weight of 4H-pyran-4-one is 96.021126 g/mol.
What are the applications of 4H-pyran-4-one?
4H-pyran-4-one is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 4H-pyran-4-one (CAS 108-97-4) with...
Where can I buy 4H-pyran-4-one?
You can request a quote for 4H-pyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-pyran-4-one?
Yes, CoreyChem provides custom synthesis services for 4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.