1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester
TL;DR: 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester (CAS 74401-79-9) is a chemical compound with molecular formula C16H17NO4 and molecular weight 287.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
phenyl 3,3-diethyl-2,4-dioxopyridine-1-carboxylate
Also Known As: 1-Carbophenoxy-3,3-diethyl-2,4-pyridinedione, 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester, 3,4-Dihydro-3,3-diethyl-2,4-dioxo-1(2H)-pyridinecarboxylic acid phenyl ester, phenyl 3,3-diethyl-2,4-dioxopyridine-1-carboxylate, Phenyl 3,3-diethyl-2,4-dioxo-3,4-dihydropyridine-1(2H)-carboxylate
| Molecular Formula | C16H17NO4 |
|---|---|
| Molecular Weight | 287.12 g/mol |
| LogP | 2.9168 |
| Topological Polar Surface Area | 63.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.11575 |
| Heavy Atoms | 21 |
| Complexity | 587.5544 |
Chemical Identifiers
| CAS Number | 74401-79-9 |
|---|---|
| SMILES | CCC1(C(=O)C=CN(C1=O)C(=O)OC2=CC=CC=C2)CC |
Product Overview
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester (CAS 74401-79-9), with molecular formula C16H17NO4 and molecular weight 287.12 g/mol. IUPAC: phenyl 3,3-diethyl-2,4-dioxopyridine-1-carboxylate.
Chemical Property Profile of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester
Property Insights of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester
The XLogP value of 2.9168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester. The TPSA of 63.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester. Following Lipinski's Rule of Five, 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester has 0 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 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester?
The CAS number of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester is 74401-79-9.
What is the molecular formula of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester?
The molecular formula of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester is C16H17NO4.
What is the molecular weight of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester?
The molecular weight of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester is 287.12 g/mol.
Where can I buy 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester?
You can request a quote for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-3,3-diethyl-2,4-dioxo-, phenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.