1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester
TL;DR: 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester (CAS 54996-03-1) is a chemical compound with molecular formula C12H21NO2 and molecular weight 211.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 2,2,6,6-tetramethyl-1,3-dihydropyridine-4-carboxylate
Also Known As: 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester, ethyl 2,2,6,6-tetramethyl-1,3-dihydropyridine-4-carboxylate, 1,2,3,6-Tetrahydro-2,2,6,6-tetramethylpyridine-4-carboxylic acid, ethyl 2,2,6,6-tetramethyl-1,2,3,6-tetrahydropyridine-4-carboxylate, 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-2,2,6,6-tetramethyl-, ethyl ester
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H21NO2 |
| Molecular Weight | 211.15723 g/mol |
| XLogP | 1.6 |
| Topological Polar Surface Area (TPSA) | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 211.15723 Da |
| Heavy Atoms | 15 |
| Complexity | 290.0 |
| SMILES | CCOC(=O)C1=CC(NC(C1)(C)C)(C)C |
| InChIKey | AYTGFQNGBCEDCU-UHFFFAOYSA-N |
Chemical Property Profile of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester
Property Insights of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester 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
What is the CAS number of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester?
The CAS number of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester is 54996-03-1.
What is the molecular formula of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester?
The molecular formula of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester is C12H21NO2.
What is the molecular weight of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester?
The molecular weight of 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester is 211.15723 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester?
You can request a quote for 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester?
Yes, CoreyChem provides custom synthesis services for 1,2,3,6-Tetrahydro-2,2,6,6-tetramethyl-4-pyridinecarboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.