2H-pyran-3,5(4H,6H)-dione
TL;DR: 2H-pyran-3,5(4H,6H)-dione (CAS 61363-56-2) is a chemical compound with molecular formula C5H6O3 and molecular weight 114.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
oxane-3,5-dione
Also Known As: 2H-pyran-3,5(4H,6H)-dione, oxane-3,5-dione, PYRAN-3,5-DIONE, tetrahydropyran-3,5-dione, 2H-Pyran-3,5-(4H,6H)-dione
| Molecular Formula | C5H6O3 |
|---|---|
| Molecular Weight | 114.03 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 114.03169 |
| Heavy Atoms | 8 |
| Complexity | 114.0 |
Chemical Identifiers
| CAS Number | 61363-56-2 |
|---|---|
| SMILES | C1C(=O)COCC1=O |
| InChIKey | SMIQVIXGQSMHKF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2H-pyran-3,5(4H,6H)-dione (CAS 61363-56-2), with molecular formula C5H6O3 and molecular weight 114.03 g/mol. IUPAC: oxane-3,5-dione.
Chemical Property Profile of 2H-pyran-3,5(4H,6H)-dione
Property Insights of 2H-pyran-3,5(4H,6H)-dione
The XLogP value of -0.3 indicates that 2H-pyran-3,5(4H,6H)-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.4 Ų, 2H-pyran-3,5(4H,6H)-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-pyran-3,5(4H,6H)-dione 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 2H-pyran-3,5(4H,6H)-dione?
The CAS number of 2H-pyran-3,5(4H,6H)-dione is 61363-56-2.
What is the molecular formula of 2H-pyran-3,5(4H,6H)-dione?
The molecular formula of 2H-pyran-3,5(4H,6H)-dione is C5H6O3.
What is the molecular weight of 2H-pyran-3,5(4H,6H)-dione?
The molecular weight of 2H-pyran-3,5(4H,6H)-dione is 114.03 g/mol.
Where can I buy 2H-pyran-3,5(4H,6H)-dione?
You can request a quote for 2H-pyran-3,5(4H,6H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-pyran-3,5(4H,6H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 2H-pyran-3,5(4H,6H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.