3,4-Hexanedione
TL;DR: 3,4-Hexanedione (CAS 4437-51-8) 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-3,4-dione
Also Known As: 3,4-HEXANEDIONE, hexane-3,4-dione, Bipropionyl, Dipropionyl, Diethyl diketone
| Molecular Formula | C6H10O2 |
|---|---|
| Molecular Weight | 114.07 g/mol |
| LogP | 0.5 |
| 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 | 91.0 |
| Melting Point | -10 °C |
| Boiling Point | 123.00 to 125.00 °C. @ 760.00 mm Hg |
| Density | 0.941-0.950 (20°) |
| Solubility | slightly |
| Refractive Index | 1.408-1.413 |
Chemical Identifiers
| CAS Number | 4437-51-8 |
|---|---|
| SMILES | CCC(=O)C(=O)CC |
| InChIKey | KVFQMAZOBTXCAZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Hexanedione (CAS 4437-51-8), with molecular formula C6H10O2 and molecular weight 114.07 g/mol. IUPAC: hexane-3,4-dione.
Chemical Property Profile of 3,4-Hexanedione
Property Insights of 3,4-Hexanedione
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-Hexanedione. With a topological polar surface area (TPSA) of 34.1 Ų, 3,4-Hexanedione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-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 3,4-Hexanedione?
The CAS number of 3,4-Hexanedione is 4437-51-8.
What is the molecular formula of 3,4-Hexanedione?
The molecular formula of 3,4-Hexanedione is C6H10O2.
What is the molecular weight of 3,4-Hexanedione?
The molecular weight of 3,4-Hexanedione is 114.07 g/mol.
Where can I buy 3,4-Hexanedione?
You can request a quote for 3,4-Hexanedione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Hexanedione?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Hexanedione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.