Hex-4-yn-3-one
TL;DR: Hex-4-yn-3-one (CAS 10575-41-4) is a chemical compound with molecular formula C6H8O and molecular weight 96.05752 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hex-4-yn-3-one
Also Known As: Hex-4-yn-3-one, 4-Hexyne-3-one, 4-Hexyn-3-one, Hex-4-in-3-on, dimethyl (1-butyn-3-one)
Application Areas
Top 5 of 3 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O |
| Molecular Weight | 96.05752 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 96.05752 Da |
| Heavy Atoms | 7 |
| Complexity | 122.0 |
| SMILES | CCC(=O)C#CC |
| InChIKey | BIWUZTZFFUMZIG-UHFFFAOYSA-N |
Chemical Property Profile of Hex-4-yn-3-one
Property Insights of Hex-4-yn-3-one
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-4-yn-3-one. With a topological polar surface area (TPSA) of 17.1 Ų, Hex-4-yn-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-4-yn-3-one has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Hex-4-yn-3-one?
The CAS number of Hex-4-yn-3-one is 10575-41-4.
What is the molecular formula of Hex-4-yn-3-one?
The molecular formula of Hex-4-yn-3-one is C6H8O.
What is the molecular weight of Hex-4-yn-3-one?
The molecular weight of Hex-4-yn-3-one is 96.05752 g/mol.
Where can I buy Hex-4-yn-3-one?
You can request a quote for Hex-4-yn-3-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hex-4-yn-3-one?
Yes, CoreyChem provides custom synthesis services for Hex-4-yn-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.