2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-
TL;DR: 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- (CAS 55798-59-9) is a chemical compound with molecular formula C17H19NO4 and molecular weight 301.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl benzoate
Also Known As: 3,3-Diethyl-5-benzoyloxymethyl-2,4-pyridinedione, 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-, 5-((Benzoyloxy)methyl)-3,3-diethyl-2,4(1H,3H)-pyridinedione, (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl benzoate, (5,5-Diethyl-4,6-dioxo-1,4,5,6-tetrahydropyridin-3-yl)methyl benzoate
| Molecular Formula | C17H19NO4 |
|---|---|
| Molecular Weight | 301.13 g/mol |
| LogP | 2.2326 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 301.1314 |
| Heavy Atoms | 22 |
| Complexity | 614.8059 |
Chemical Identifiers
| CAS Number | 55798-59-9 |
|---|---|
| SMILES | CCC1(C(=O)C(=CNC1=O)COC(=O)C2=CC=CC=C2)CC |
Product Overview
2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- (CAS 55798-59-9), with molecular formula C17H19NO4 and molecular weight 301.13 g/mol. IUPAC: (5,5-diethyl-4,6-dioxo-1H-pyridin-3-yl)methyl benzoate.
Chemical Property Profile of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-
Property Insights of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-
The XLogP value of 2.2326 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-. Following Lipinski's Rule of Five, 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- has 1 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 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-?
The CAS number of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- is 55798-59-9.
What is the molecular formula of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-?
The molecular formula of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- is C17H19NO4.
What is the molecular weight of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-?
The molecular weight of 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- is 301.13 g/mol.
Where can I buy 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-?
You can request a quote for 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl-?
Yes, KEHONG BIO provides custom synthesis services for 2,4(1H,3H)-Pyridinedione, 5-((benzoyloxy)methyl)-3,3-diethyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.