AGN 190089
TL;DR: AGN 190089 (CAS 116627-73-7) is a chemical compound with molecular formula C21H25NO2 and molecular weight 323.18854 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 6-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylate
Also Known As: AGN 190089, Ethyl 6-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-3-pyridinecarboxylate, 3-Pyridinecarboxylic acid, 6-(4-(2,6,6-trimethyl-1-cyclohexen-1-yl)-3-buten-1-ynyl)-, ethyl ester, 6-[4-(2,6,6-Trimethyl-1-cyclohexenyl)-3-buten-1-ynyl]nicotinic acid ethyl ester, ethyl 6-[(E)-4-(2,6,6-trimethylcyclohexen-1-yl)but-3-en-1-ynyl]pyridine-3-carboxylate
Technical Specifications
| Molecular Formula | C21H25NO2 |
| Molecular Weight | 323.18854 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.18854 Da |
| Heavy Atoms | 24 |
| Complexity | 585.0 |
| SMILES | CCOC(=O)C1=CN=C(C=C1)C#C/C=C/C2=C(CCCC2(C)C)C |
| InChIKey | QLRMBOWJZFZEKW-YRNVUSSQSA-N |
Chemical Property Profile of AGN 190089
Property Insights of AGN 190089
The XLogP value of 4.7 indicates that AGN 190089 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 39.2 Ų, AGN 190089 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AGN 190089 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
What is the CAS number of AGN 190089?
The CAS number of AGN 190089 is 116627-73-7.
What is the molecular formula of AGN 190089?
The molecular formula of AGN 190089 is C21H25NO2.
What is the molecular weight of AGN 190089?
The molecular weight of AGN 190089 is 323.18854 g/mol.
Where can I buy AGN 190089?
You can request a quote for AGN 190089 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for AGN 190089?
Yes, CoreyChem provides custom synthesis services for AGN 190089 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.