Ethyl 1-methyl-4H-pyridine-3-carboxylate
TL;DR: Ethyl 1-methyl-4H-pyridine-3-carboxylate (CAS 60397-04-8) is a chemical compound with molecular formula C9H13NO2 and molecular weight 167.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-4H-pyridine-3-carboxylate
Also Known As: Ethyl 1-methyl-4H-pyridine-3-carboxylate, Ethyl 1-methyl-1,4-dihydropyridine-3-carboxylate, 3-Pyridinecarboxylicacid , 1,4-dihydro-1-methyl-, ethyl ester, 1,4-Dihydro-1-methylpyridine-3-carboxylic acid ethyl ester
| Molecular Formula | C9H13NO2 |
|---|---|
| Molecular Weight | 167.09 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 167.09464 |
| Heavy Atoms | 12 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 60397-04-8 |
|---|---|
| SMILES | CCOC(=O)C1=CN(C=CC1)C |
| InChIKey | UEDQNTFMMVDUTO-UHFFFAOYSA-N |
Product Overview
Ethyl 1-methyl-4H-pyridine-3-carboxylate (CAS 60397-04-8), with molecular formula C9H13NO2 and molecular weight 167.09 g/mol. IUPAC: ethyl 1-methyl-4H-pyridine-3-carboxylate.
Chemical Property Profile of Ethyl 1-methyl-4H-pyridine-3-carboxylate
Property Insights of Ethyl 1-methyl-4H-pyridine-3-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-methyl-4H-pyridine-3-carboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 1-methyl-4H-pyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-4H-pyridine-3-carboxylate 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 Ethyl 1-methyl-4H-pyridine-3-carboxylate?
The CAS number of Ethyl 1-methyl-4H-pyridine-3-carboxylate is 60397-04-8.
What is the molecular formula of Ethyl 1-methyl-4H-pyridine-3-carboxylate?
The molecular formula of Ethyl 1-methyl-4H-pyridine-3-carboxylate is C9H13NO2.
What is the molecular weight of Ethyl 1-methyl-4H-pyridine-3-carboxylate?
The molecular weight of Ethyl 1-methyl-4H-pyridine-3-carboxylate is 167.09 g/mol.
Where can I buy Ethyl 1-methyl-4H-pyridine-3-carboxylate?
You can request a quote for Ethyl 1-methyl-4H-pyridine-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 1-methyl-4H-pyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-4H-pyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.