4H-Pyran-4-one, 5-hydroxy-2-methyl-
TL;DR: 4H-Pyran-4-one, 5-hydroxy-2-methyl- (CAS 644-46-2) is a chemical compound with molecular formula C6H6O3 and molecular weight 126.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-2-methylpyran-4-one
Also Known As: 5-Hydroxy-2-methyl-4H-pyran-4-one, Allomaltol, Allo Maltol, 5-hydroxy-2-methylpyran-4-one, Kojic Impurity N1
| Molecular Formula | C6H6O3 |
|---|---|
| Molecular Weight | 126.03 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.03169 |
| Heavy Atoms | 9 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 644-46-2 |
|---|---|
| SMILES | CC1=CC(=O)C(=CO1)O |
| InChIKey | IQXWFHDFTAZGNB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4H-Pyran-4-one, 5-hydroxy-2-methyl- (CAS 644-46-2), with molecular formula C6H6O3 and molecular weight 126.03 g/mol. IUPAC: 5-hydroxy-2-methylpyran-4-one.
Chemical Property Profile of 4H-Pyran-4-one, 5-hydroxy-2-methyl-
Property Insights of 4H-Pyran-4-one, 5-hydroxy-2-methyl-
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyran-4-one, 5-hydroxy-2-methyl-. With a topological polar surface area (TPSA) of 46.5 Ų, 4H-Pyran-4-one, 5-hydroxy-2-methyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4H-Pyran-4-one, 5-hydroxy-2-methyl- has 1 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 4H-Pyran-4-one, 5-hydroxy-2-methyl-?
The CAS number of 4H-Pyran-4-one, 5-hydroxy-2-methyl- is 644-46-2.
What is the molecular formula of 4H-Pyran-4-one, 5-hydroxy-2-methyl-?
The molecular formula of 4H-Pyran-4-one, 5-hydroxy-2-methyl- is C6H6O3.
What is the molecular weight of 4H-Pyran-4-one, 5-hydroxy-2-methyl-?
The molecular weight of 4H-Pyran-4-one, 5-hydroxy-2-methyl- is 126.03 g/mol.
Where can I buy 4H-Pyran-4-one, 5-hydroxy-2-methyl-?
You can request a quote for 4H-Pyran-4-one, 5-hydroxy-2-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-Pyran-4-one, 5-hydroxy-2-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-Pyran-4-one, 5-hydroxy-2-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.