![6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid structure](/static/products/1166/116627-76-0.webp)
6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid
TL;DR: 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid (CAS 116627-76-0) is a chemical compound with molecular formula C19H21NO2 and molecular weight 295.15723 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-[4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid
Also Known As: AGN 190186, 3-Pyridinecarboxylicacid, 6-[4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-yn-1-yl]-, 3-Pyridinecarboxylic acid, 6-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, 6-(4-(2,6,6-Trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-3-pyridinecarboxylic acid
Technical Specifications
| Molecular Formula | C19H21NO2 |
| Molecular Weight | 295.15723 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 295.15723 Da |
| Heavy Atoms | 22 |
| Complexity | 556.0 |
| SMILES | CC1=C(C(CCC1)(C)C)C=CC#CC2=NC=C(C=C2)C(=O)O |
| InChIKey | DSQMLDQMOIVLSY-UHFFFAOYSA-N |
Chemical Property Profile of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid
Property Insights of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid
The XLogP value of 4.0 indicates that 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.2 Ų, 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid 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 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid?
The CAS number of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid is 116627-76-0.
What is the molecular formula of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid?
The molecular formula of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid is C19H21NO2.
What is the molecular weight of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid?
The molecular weight of 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid is 295.15723 g/mol.
Where can I buy 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid?
You can request a quote for 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 6-[4-(2,6,6-Trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.