1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester
TL;DR: 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester (CAS 57330-84-4) is a chemical compound with molecular formula C8H11NO3 and molecular weight 169.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-oxo-2,3-dihydropyridine-1-carboxylate
Also Known As: ghl.PD_Mitscher_leg0.182, ethyl 4-oxo-2,3-dihydropyridine-1-carboxylate, 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester, ethyl 4-oxo-3,4-dihydropyridine-1(2H)-carboxylate, 1-ethoxycarbonyl-2,3-dehydro-4-piperidone
| Molecular Formula | C8H11NO3 |
|---|---|
| Molecular Weight | 169.07 g/mol |
| LogP | 0.9314 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.0739 |
| Heavy Atoms | 12 |
| Complexity | 222.34286 |
Chemical Identifiers
| CAS Number | 57330-84-4 |
|---|---|
| SMILES | CCOC(=O)N1CCC(=O)C=C1 |
Product Overview
1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester (CAS 57330-84-4), with molecular formula C8H11NO3 and molecular weight 169.07 g/mol. IUPAC: ethyl 4-oxo-2,3-dihydropyridine-1-carboxylate.
Chemical Property Profile of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester
Property Insights of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester
The XLogP value of 0.9314 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester. With a topological polar surface area (TPSA) of 46.61 Ų, 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester has 0 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 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester?
The CAS number of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester is 57330-84-4.
What is the molecular formula of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester?
The molecular formula of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester is C8H11NO3.
What is the molecular weight of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester?
The molecular weight of 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester is 169.07 g/mol.
Where can I buy 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester?
You can request a quote for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl 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-4-oxo-, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1(2H)-Pyridinecarboxylic acid, 3,4-dihydro-4-oxo-, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.