4-Fluorohexbutinol
TL;DR: 4-Fluorohexbutinol (CAS 1274717-15-5) is a chemical compound with molecular formula C21H28FNO and molecular weight 329.21548 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-cyclohexyl-1-(4-fluorophenyl)-4-piperidin-1-ylbut-2-yn-1-ol
Also Known As: 4-Fluorohexbutinol, 1-cyclohexyl-1-(4-fluorophenyl)-4-piperidin-1-ylbut-2-yn-1-ol, 5-amino-3-t-butyl-1-(4-chlorobenzyl)pyrazole, 1-(4-Cyclohexyl-4-hydroxy-4-(4-fluorophenyl)-2-butynyl)piperidine, 1-CYCLOHEXYL-1-(4-FLUOROPHENYL)-4-(PIPERIDIN-1-YL)BUT-2-YN-1-OL
Technical Specifications
| Molecular Formula | C21H28FNO |
| Molecular Weight | 329.21548 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 329.21548 Da |
| Heavy Atoms | 24 |
| Complexity | 447.0 |
| SMILES | C1CCC(CC1)C(C#CCN2CCCCC2)(C3=CC=C(C=C3)F)O |
| InChIKey | XXQIFONNLHEHLF-UHFFFAOYSA-N |
Chemical Property Profile of 4-Fluorohexbutinol
Property Insights of 4-Fluorohexbutinol
The XLogP value of 4.5 indicates that 4-Fluorohexbutinol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, 4-Fluorohexbutinol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Fluorohexbutinol 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 4-Fluorohexbutinol?
The CAS number of 4-Fluorohexbutinol is 1274717-15-5.
What is the molecular formula of 4-Fluorohexbutinol?
The molecular formula of 4-Fluorohexbutinol is C21H28FNO.
What is the molecular weight of 4-Fluorohexbutinol?
The molecular weight of 4-Fluorohexbutinol is 329.21548 g/mol.
Where can I buy 4-Fluorohexbutinol?
You can request a quote for 4-Fluorohexbutinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Fluorohexbutinol?
Yes, CoreyChem provides custom synthesis services for 4-Fluorohexbutinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.