Hex-5-ene-2,4-dione
TL;DR: Hex-5-ene-2,4-dione (CAS 52496-27-2) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hex-5-ene-2,4-dione
Also Known As: hex-5-ene-2,4-dione, Acryloylacetone, 5-Hexene-2,4-dione, vinyl acetonyl ketone, 1-Hexene-3,5-dione
| Molecular Formula | C6H8O2 |
|---|---|
| Molecular Weight | 112.05 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 112.05243 |
| Heavy Atoms | 8 |
| Complexity | 124.0 |
Chemical Identifiers
| CAS Number | 52496-27-2 |
|---|---|
| SMILES | CC(=O)CC(=O)C=C |
| InChIKey | MSLCOWHBLCTBOW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hex-5-ene-2,4-dione (CAS 52496-27-2), with molecular formula C6H8O2 and molecular weight 112.05 g/mol. IUPAC: hex-5-ene-2,4-dione.
Chemical Property Profile of Hex-5-ene-2,4-dione
Property Insights of Hex-5-ene-2,4-dione
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hex-5-ene-2,4-dione. With a topological polar surface area (TPSA) of 34.1 Ų, Hex-5-ene-2,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hex-5-ene-2,4-dione 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
Frequently Asked Questions
What is the CAS number of Hex-5-ene-2,4-dione?
The CAS number of Hex-5-ene-2,4-dione is 52496-27-2.
What is the molecular formula of Hex-5-ene-2,4-dione?
The molecular formula of Hex-5-ene-2,4-dione is C6H8O2.
What is the molecular weight of Hex-5-ene-2,4-dione?
The molecular weight of Hex-5-ene-2,4-dione is 112.05 g/mol.
Where can I buy Hex-5-ene-2,4-dione?
You can request a quote for Hex-5-ene-2,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hex-5-ene-2,4-dione?
Yes, KEHONG BIO provides custom synthesis services for Hex-5-ene-2,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.