3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
TL;DR: 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (CAS 1968-51-0) is a chemical compound with molecular formula C6H6O4 and molecular weight 142.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxy-2-(hydroxymethyl)pyran-4-one
Also Known As: 3-Hydroxy-2-(hydroxymethyl)-4H-pyran-4-one, 2-Hydroxymethyl-3-hydroxy-pyran-4(1H)-one, 2-(Hydroxymethyl)-3-hydroxy-4H-pyran-4-one, 3-hydroxy-2-(hydroxymethyl)pyran-4-one, 2-hydroxymethyl-3-hydroxy-4-pyrone
| Molecular Formula | C6H6O4 |
|---|---|
| Molecular Weight | 142.03 g/mol |
| LogP | -0.1623 |
| Topological Polar Surface Area | 70.67 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 142.02661 |
| Heavy Atoms | 10 |
| Complexity | 275.32147 |
Chemical Identifiers
| CAS Number | 1968-51-0 |
|---|---|
| SMILES | C1=COC(=C(C1=O)O)CO |
Product Overview
3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one (CAS 1968-51-0), with molecular formula C6H6O4 and molecular weight 142.03 g/mol. IUPAC: 3-hydroxy-2-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
Property Insights of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one
The XLogP value of -0.1623 indicates that 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.67 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one. Following Lipinski's Rule of Five, 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one has 2 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 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one?
The CAS number of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one is 1968-51-0.
What is the molecular formula of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one?
The molecular formula of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one is C6H6O4.
What is the molecular weight of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one?
The molecular weight of 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one is 142.03 g/mol.
Where can I buy 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one?
You can request a quote for 3-hydroxy-2-(hydroxymethyl)-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 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-hydroxy-2-(hydroxymethyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.