4-Pyridin-2-ylbut-3-yn-2-one
TL;DR: 4-Pyridin-2-ylbut-3-yn-2-one (CAS 114880-31-8) is a chemical compound with molecular formula C9H7NO and molecular weight 145.05276 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-pyridin-2-ylbut-3-yn-2-one
Also Known As: 4-pyridin-2-ylbut-3-yn-2-one, 3-Butyn-2-one,4-(2-pyridinyl)-(9CI), 4-(pyridin-2-yl)but-3-yn-2-one, 3-butyn-2-one, 4-(2-pyridinyl)-, 4-(2-Pyridinyl)-3-butyne-2-one
Technical Specifications
| Molecular Formula | C9H7NO |
| Molecular Weight | 145.05276 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.05276 Da |
| Heavy Atoms | 11 |
| Complexity | 208.0 |
| SMILES | CC(=O)C#CC1=CC=CC=N1 |
| InChIKey | WYRXVGZOLMTBNS-UHFFFAOYSA-N |
Chemical Property Profile of 4-Pyridin-2-ylbut-3-yn-2-one
Property Insights of 4-Pyridin-2-ylbut-3-yn-2-one
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridin-2-ylbut-3-yn-2-one. With a topological polar surface area (TPSA) of 30.0 Ų, 4-Pyridin-2-ylbut-3-yn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Pyridin-2-ylbut-3-yn-2-one has 0 hydrogen bond donor(s) and 2 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-Pyridin-2-ylbut-3-yn-2-one?
The CAS number of 4-Pyridin-2-ylbut-3-yn-2-one is 114880-31-8.
What is the molecular formula of 4-Pyridin-2-ylbut-3-yn-2-one?
The molecular formula of 4-Pyridin-2-ylbut-3-yn-2-one is C9H7NO.
What is the molecular weight of 4-Pyridin-2-ylbut-3-yn-2-one?
The molecular weight of 4-Pyridin-2-ylbut-3-yn-2-one is 145.05276 g/mol.
Where can I buy 4-Pyridin-2-ylbut-3-yn-2-one?
You can request a quote for 4-Pyridin-2-ylbut-3-yn-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Pyridin-2-ylbut-3-yn-2-one?
Yes, CoreyChem provides custom synthesis services for 4-Pyridin-2-ylbut-3-yn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.