1,4-Hexadiene
TL;DR: 1,4-Hexadiene (CAS 592-45-0) is a chemical compound with molecular formula C6H10 and molecular weight 82.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-1,4-diene
Also Known As: 1,4-HEXADIENE, Allylpropenyl, hexa-1,4-diene, 1-Allylpropene, cis-1,4-Hexadiene
| Molecular Formula | C6H10 |
|---|---|
| Molecular Weight | 82.08 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 2 |
| Exact Mass | 82.07825 |
| Heavy Atoms | 6 |
| Complexity | 51.0 |
| Boiling Point | 65 °C @ 760 mm Hg |
| Density | 0.7000 @ 20 °C |
| Solubility | Insol in water; sol in ether, ethanol, and benzene |
| Flash Point | -21 °C |
| Vapor Pressure | 172.0 [mmHg] |
| Refractive Index | 1.4150 @ 20 °C |
Chemical Identifiers
| CAS Number | 592-45-0 |
|---|---|
| SMILES | CC=CCC=C |
| InChIKey | PRBHEGAFLDMLAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Hexadiene (CAS 592-45-0), with molecular formula C6H10 and molecular weight 82.08 g/mol. IUPAC: hexa-1,4-diene.
Chemical Property Profile of 1,4-Hexadiene
Property Insights of 1,4-Hexadiene
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,4-Hexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Hexadiene has 0 hydrogen bond donor(s) and 0 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 1,4-Hexadiene?
The CAS number of 1,4-Hexadiene is 592-45-0.
What is the molecular formula of 1,4-Hexadiene?
The molecular formula of 1,4-Hexadiene is C6H10.
What is the molecular weight of 1,4-Hexadiene?
The molecular weight of 1,4-Hexadiene is 82.08 g/mol.
Where can I buy 1,4-Hexadiene?
You can request a quote for 1,4-Hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.