5-Hexyn-2-one
TL;DR: 5-Hexyn-2-one (CAS 2550-28-9) is a chemical compound with molecular formula CC(=O)CCC#C and molecular weight 96.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-5-yn-2-one
Also Known As: 5-Hexyn-2-one, hex-5-yn-2-one, propargylacetone, 5-Hexyne-2-one, J1.186.451A
| Molecular Formula | CC(=O)CCC#C |
|---|---|
| Molecular Weight | 96.06 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 96.05752 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 2550-28-9 |
|---|---|
| SMILES | CC(=O)CCC#C |
| InChIKey | MQVQPQJPNZJTAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Hexyn-2-one (CAS 2550-28-9), with molecular formula CC(=O)CCC#C and molecular weight 96.06 g/mol. IUPAC: hex-5-yn-2-one.
Chemical Property Profile of 5-Hexyn-2-one
Property Insights of 5-Hexyn-2-one
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Hexyn-2-one. With a topological polar surface area (TPSA) of 17.1 Ų, 5-Hexyn-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Hexyn-2-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
Frequently Asked Questions
What is the CAS number of 5-Hexyn-2-one?
The CAS number of 5-Hexyn-2-one is 2550-28-9.
What is the molecular formula of 5-Hexyn-2-one?
The molecular formula of 5-Hexyn-2-one is CC(=O)CCC#C.
What is the molecular weight of 5-Hexyn-2-one?
The molecular weight of 5-Hexyn-2-one is 96.06 g/mol.
Where can I buy 5-Hexyn-2-one?
You can request a quote for 5-Hexyn-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Hexyn-2-one?
Yes, KEHONG BIO provides custom synthesis services for 5-Hexyn-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.