Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate
TL;DR: Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate (CAS 18513-76-3) is a chemical compound with molecular formula C8H13NO2 and molecular weight 155.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate
Also Known As: Guvacine ethyl ester, arecoline, Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate, ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate, ethyl 1,2,5,6-tetrahydro-3-pyridinecarboxylate
| Molecular Formula | C8H13NO2 |
|---|---|
| Molecular Weight | 155.09 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 155.09464 |
| Heavy Atoms | 11 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 18513-76-3 |
|---|---|
| SMILES | CCOC(=O)C1=CCCNC1 |
| InChIKey | DBJSKLKTQJMDTJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate (CAS 18513-76-3), with molecular formula C8H13NO2 and molecular weight 155.09 g/mol. IUPAC: ethyl 1,2,3,6-tetrahydropyridine-5-carboxylate.
Chemical Property Profile of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate
Property Insights of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate. With a topological polar surface area (TPSA) of 38.3 Ų, Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 1,2,5,6-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 1,2,5,6-tetrahydropyridine-3-carboxylate?
The CAS number of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate is 18513-76-3.
What is the molecular formula of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate?
The molecular formula of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate is C8H13NO2.
What is the molecular weight of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate?
The molecular weight of Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate is 155.09 g/mol.
Where can I buy Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate?
You can request a quote for Ethyl 1,2,5,6-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 1,2,5,6-tetrahydropyridine-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 1,2,5,6-tetrahydropyridine-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.