Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate
TL;DR: Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate (CAS 40415-93-8) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
Also Known As: ethyl 1-methyl-1,2,3,6-tetrahydropyridine-4-carboxylate, ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate, GKMQAGZRPQBLHG-UHFFFAOYSA-, Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate, 4-carbethoxy-1-methyl-1,2,5,6-tetrahydropyridine
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 40415-93-8 |
|---|---|
| SMILES | CCOC(=O)C1=CCN(CC1)C |
| InChIKey | GKMQAGZRPQBLHG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate (CAS 40415-93-8), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate.
Chemical Property Profile of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate
Property Insights of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate. With a topological polar surface area (TPSA) of 29.5 Ų, Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate 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-1,2,3,6-tetrahydro-4-pyridinecarboxylate?
The CAS number of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate is 40415-93-8.
What is the molecular formula of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate?
The molecular formula of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate is C9H15NO2.
What is the molecular weight of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate?
The molecular weight of Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate is 169.11 g/mol.
Where can I buy Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate?
You can request a quote for Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate 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-1,2,3,6-tetrahydro-4-pyridinecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1-methyl-1,2,3,6-tetrahydro-4-pyridinecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.