2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
TL;DR: 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one (CAS 1211-83-2) is a chemical compound with molecular formula C11H17NO4 and molecular weight 227.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylaminomethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one
Also Known As: IFLab1_003951, 6-(Diethylaminomethyl)kojic acid, 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-[(Diethylamino)methyl]-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one, 2-(diethylaminomethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one
| Molecular Formula | C11H17NO4 |
|---|---|
| Molecular Weight | 227.12 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 70.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.11575 |
| Heavy Atoms | 16 |
| Complexity | 329.0 |
Chemical Identifiers
| CAS Number | 1211-83-2 |
|---|---|
| SMILES | CCN(CC)CC1=C(C(=O)C=C(O1)CO)O |
| InChIKey | WFEXVZXSHXQWAZ-UHFFFAOYSA-N |
Product Overview
2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one (CAS 1211-83-2), with molecular formula C11H17NO4 and molecular weight 227.12 g/mol. IUPAC: 2-(diethylaminomethyl)-3-hydroxy-6-(hydroxymethyl)pyran-4-one.
Chemical Property Profile of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
Property Insights of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one
The XLogP value of -0.3 indicates that 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one. Following Lipinski's Rule of Five, 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one has 2 hydrogen bond donor(s) and 5 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-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one?
The CAS number of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one is 1211-83-2.
What is the molecular formula of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one?
The molecular formula of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one is C11H17NO4.
What is the molecular weight of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one?
The molecular weight of 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one is 227.12 g/mol.
Where can I buy 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one?
You can request a quote for 2-((diethylamino)methyl)-3-hydroxy-6-(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 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-((diethylamino)methyl)-3-hydroxy-6-(hydroxymethyl)-4H-pyran-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.