3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione
TL;DR: 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione (CAS 20096-03-1) is a chemical compound with molecular formula C10H15NO3 and molecular weight 197.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,3-diethyl-5-(hydroxymethyl)-1H-pyridine-2,4-dione
Also Known As: 2,4(1H,3H)-Pyridinedione, 3,3-diethyl-5-(hydroxymethyl)-, 3,3-Diethyl-5-hydroxymethyl-2,4-pyridinedione, 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione, 3,3-DIETHYL-5-(HYDROXYMETHYL)-1,2,3,4-TETRAHYDROPYRIDINE-2,4-DIONE, 3,3-diethyl-5-(hydroxymethyl)-1H-pyridine-2,4-dione
| Molecular Formula | C10H15NO3 |
|---|---|
| Molecular Weight | 197.11 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 197.1052 |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 20096-03-1 |
|---|---|
| SMILES | CCC1(C(=O)C(=CNC1=O)CO)CC |
| InChIKey | LRBLMOZKEZGJGQ-UHFFFAOYSA-N |
Product Overview
3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione (CAS 20096-03-1), with molecular formula C10H15NO3 and molecular weight 197.11 g/mol. IUPAC: 3,3-diethyl-5-(hydroxymethyl)-1H-pyridine-2,4-dione.
Chemical Property Profile of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione
Property Insights of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione. Following Lipinski's Rule of Five, 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione has 2 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 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione?
The CAS number of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione is 20096-03-1.
What is the molecular formula of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione?
The molecular formula of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione is C10H15NO3.
What is the molecular weight of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione?
The molecular weight of 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione is 197.11 g/mol.
Where can I buy 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione?
You can request a quote for 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione?
Yes, KEHONG BIO provides custom synthesis services for 3,3-Diethyl-5-(hydroxymethyl)-2,4(1H,3H)-pyridinedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.