3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester
TL;DR: 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester (CAS 500862-67-9) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate
Also Known As: butyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate, 3-pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester, 3-Pyridinecarboxylic acid, 1-ethyl-1,2,5,6-tetrahydro-, butyl ester (9CI)
| Molecular Formula | C12H21NO2 |
|---|---|
| Molecular Weight | 211.16 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 211.15723 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 500862-67-9 |
|---|---|
| SMILES | CCCCOC(=O)C1=CCCN(C1)CC |
| InChIKey | LCUGDFPFLIQLCX-UHFFFAOYSA-N |
Product Overview
3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester (CAS 500862-67-9), with molecular formula C12H21NO2 and molecular weight 211.16 g/mol. IUPAC: butyl 1-ethyl-3,6-dihydro-2H-pyridine-5-carboxylate.
Chemical Property Profile of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester
Property Insights of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester. With a topological polar surface area (TPSA) of 29.5 Ų, 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester 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 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester?
The CAS number of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester is 500862-67-9.
What is the molecular formula of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester?
The molecular formula of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester is C12H21NO2.
What is the molecular weight of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester?
The molecular weight of 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester is 211.16 g/mol.
Where can I buy 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester?
You can request a quote for 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinecarboxylic acid,1-ethyl-1,2,5,6-tetrahydro-,butyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.