2,3-Hexadiene
TL;DR: 2,3-Hexadiene (CAS 592-49-4) is a chemical compound with molecular formula CCC=C=CC and molecular weight 82.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-2,3-diene
Also Known As: 2,3-Hexadiene, hexa-2,3-diene, methylethylallene, 4-hexadiene, 3,4-hexadiene
| Molecular Formula | CCC=C=CC |
|---|---|
| Molecular Weight | 82.08 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 82.07825 |
| Heavy Atoms | 6 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 592-49-4 |
|---|---|
| SMILES | CCC=C=CC |
| InChIKey | DPUXQWOMYBMHRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3-Hexadiene (CAS 592-49-4), with molecular formula CCC=C=CC and molecular weight 82.08 g/mol. IUPAC: hexa-2,3-diene.
Chemical Property Profile of 2,3-Hexadiene
Property Insights of 2,3-Hexadiene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Hexadiene. With a topological polar surface area (TPSA) of 0.0 Ų, 2,3-Hexadiene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3-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 2,3-Hexadiene?
The CAS number of 2,3-Hexadiene is 592-49-4.
What is the molecular formula of 2,3-Hexadiene?
The molecular formula of 2,3-Hexadiene is CCC=C=CC.
What is the molecular weight of 2,3-Hexadiene?
The molecular weight of 2,3-Hexadiene is 82.08 g/mol.
Where can I buy 2,3-Hexadiene?
You can request a quote for 2,3-Hexadiene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Hexadiene?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Hexadiene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.