2H-Pyran-3,4-dione
TL;DR: 2H-Pyran-3,4-dione (CAS 76031-43-1) is a chemical compound with molecular formula C5H4O3 and molecular weight 112.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pyran-3,4-dione
Also Known As: 2H-PYRAN-3,4-DIONE, Pyromeconic acid, Pyran-3,4-dione, 2H-Pyran-3,4-dione (9CI)
| Molecular Formula | C5H4O3 |
|---|---|
| Molecular Weight | 112.02 g/mol |
| LogP | -0.3315 |
| Topological Polar Surface Area | 43.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 112.016045 |
| Heavy Atoms | 8 |
| Complexity | 157.05672 |
Chemical Identifiers
| CAS Number | 76031-43-1 |
|---|---|
| SMILES | C1C(=O)C(=O)C=CO1 |
Product Overview
2H-Pyran-3,4-dione (CAS 76031-43-1), with molecular formula C5H4O3 and molecular weight 112.02 g/mol. IUPAC: pyran-3,4-dione.
Chemical Property Profile of 2H-Pyran-3,4-dione
Property Insights of 2H-Pyran-3,4-dione
The XLogP value of -0.3315 indicates that 2H-Pyran-3,4-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 43.37 Ų, 2H-Pyran-3,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-Pyran-3,4-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-3,4-dione?
The CAS number of 2H-Pyran-3,4-dione is 76031-43-1.
What is the molecular formula of 2H-Pyran-3,4-dione?
The molecular formula of 2H-Pyran-3,4-dione is C5H4O3.
What is the molecular weight of 2H-Pyran-3,4-dione?
The molecular weight of 2H-Pyran-3,4-dione is 112.02 g/mol.
Where can I buy 2H-Pyran-3,4-dione?
You can request a quote for 2H-Pyran-3,4-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-3,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2H-Pyran-3,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.