2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one
TL;DR: 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one (CAS 325992-55-0) is a chemical compound with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: IFLab1_003763, IDI1_009870, 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one, 2-((4-ethylpiperazin-1-yl)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one
| Molecular Formula | C13H20N2O4 |
|---|---|
| Molecular Weight | 268.14 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 73.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 268.1423 |
| Heavy Atoms | 19 |
| Complexity | 409.0 |
Chemical Identifiers
| CAS Number | 325992-55-0 |
|---|---|
| SMILES | CCN1CCN(CC1)CC2=C(C(=O)C=C(O2)CO)O |
| InChIKey | AGCXVOZCJYFLJY-UHFFFAOYSA-N |
Product Overview
2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one (CAS 325992-55-0), with molecular formula C13H20N2O4 and molecular weight 268.14 g/mol. IUPAC: 2-[(4-ethylpiperazin-1-yl)methyl]-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one
Property Insights of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one
The XLogP value of -0.9 indicates that 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one. Following Lipinski's Rule of Five, 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one has 2 hydrogen bond donor(s) and 6 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 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one?
The CAS number of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one is 325992-55-0.
What is the molecular formula of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one?
The molecular formula of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one is C13H20N2O4.
What is the molecular weight of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one?
The molecular weight of 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one is 268.14 g/mol.
Where can I buy 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one?
You can request a quote for 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-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 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Ethyl-piperazin-1-ylmethyl)-3-hydroxy-6-hydroxymethyl-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.