2,4-Hexanedione
TL;DR: 2,4-Hexanedione (CAS 3002-24-2) is a chemical compound with molecular formula C6H10O2 and molecular weight 114.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexane-2,4-dione
Also Known As: 2,4-Hexanedione, hexane-2,4-dione, Propionylacetone, Acetone, propionyl-, 2,4-hexandione
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.3 |
| Topological Polar Surface Area | 34.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 114.06808 |
| Heavy Atoms | 8 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 3002-24-2 |
|---|---|
| SMILES | CCC(=O)CC(=O)C |
| InChIKey | NDOGLIPWGGRQCO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 21 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-Hexanedione (CAS 3002-24-2), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: hexane-2,4-dione.
Chemical Property Profile of 2,4-Hexanedione
Property Insights of 2,4-Hexanedione
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 2,4-Hexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexanedione 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 2,4-Hexanedione?
The CAS number of 2,4-Hexanedione is 3002-24-2.
What is the molecular formula of 2,4-Hexanedione?
The molecular formula of 2,4-Hexanedione is C6H10O2.
What is the molecular weight of 2,4-Hexanedione?
The molecular weight of 2,4-Hexanedione is 114.07 g/mol.
Where can I buy 2,4-Hexanedione?
You can request a quote for 2,4-Hexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Hexanedione?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Hexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.