5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one
TL;DR: 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one (CAS 131123-57-4) is a chemical compound with molecular formula C8H10O4 and molecular weight 170.0579 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-(1-hydroxyethyl)-2-(hydroxymethyl)pyran-4-one
Also Known As: Herierin IV, 5-(1-hydroxyethyl)-2-(hydroxymethyl)pyran-4-one, 2-Hydroxymethyl-5-alpha-hydroxyethyl-gamma-pyranone, 5-(1-Hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one, J2.368.060B
Technical Specifications
| Molecular Formula | C8H10O4 |
| Molecular Weight | 170.0579 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 170.0579 Da |
| Heavy Atoms | 12 |
| Complexity | 252.0 |
| SMILES | CC(C1=COC(=CC1=O)CO)O |
| InChIKey | QWSHNEPQDNJHHB-UHFFFAOYSA-N |
Chemical Property Profile of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one
Property Insights of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one
The XLogP value of -0.7 indicates that 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one. Following Lipinski's Rule of Five, 5-(1-hydroxyethyl)-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
What is the CAS number of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one?
The CAS number of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one is 131123-57-4.
What is the molecular formula of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one?
The molecular formula of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one is C8H10O4.
What is the molecular weight of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one?
The molecular weight of 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one is 170.0579 g/mol.
Where can I buy 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one?
You can request a quote for 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one?
Yes, CoreyChem provides custom synthesis services for 5-(1-hydroxyethyl)-2-(hydroxymethyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.