methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
TL;DR: methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CAS 80658-33-9) is a chemical compound with molecular formula C7H9NO3 and molecular weight 155.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Also Known As: 5-methoxycarbonyl-3,4-dihydropyridone, methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate, Methyl 6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate, Methyl 6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate, Methyl 6-oxo-1,4,5,6-tetrahydro-3-pyridinecarboxylate #
| Molecular Formula | C7H9NO3 |
|---|---|
| Molecular Weight | 155.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.05824 |
| Heavy Atoms | 11 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 80658-33-9 |
|---|---|
| SMILES | COC(=O)C1=CNC(=O)CC1 |
| InChIKey | PRBWLVLZPZFKFX-UHFFFAOYSA-N |
Product Overview
methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate (CAS 80658-33-9), with molecular formula C7H9NO3 and molecular weight 155.06 g/mol. IUPAC: methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate.
Chemical Property Profile of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
Property Insights of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate
The XLogP value of -0.5 indicates that methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.4 Ų, methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-oxo-3,4-dihydro-1H-pyridine-5-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 methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The CAS number of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is 80658-33-9.
What is the molecular formula of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The molecular formula of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is C7H9NO3.
What is the molecular weight of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
The molecular weight of methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate is 155.06 g/mol.
Where can I buy methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
You can request a quote for methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-oxo-3,4-dihydro-1H-pyridine-5-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.