Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 4027-39-8) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate, 6-methyl-5-carbethoxy-3,4-dihydropyridone, 1,4,5,6-Tetrahydro-2-methyl-6-oxo-3-pyridinecarboxylic acid ethyl ester, Nicotinic acid, 1,4,5,6-tetrahydro-2-methyl-6-oxo-, ethyl ester
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4027-39-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=O)CC1)C |
| InChIKey | XGEZXMADLSVPPY-UHFFFAOYSA-N |
Product Overview
Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate (CAS 4027-39-8), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: ethyl 6-methyl-2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 55.4 Ų, Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate has 1 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 Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 4027-39-8.
What is the molecular formula of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is C9H13NO3.
What is the molecular weight of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate is 183.09 g/mol.
Where can I buy Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.