1,3,4-Hexatriene
TL;DR: 1,3,4-Hexatriene (CAS 33756-16-0) is a chemical compound with molecular formula C6H8 and molecular weight 80.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-1,3,4-triene
Also Known As: 1,3,4-Hexatriene, hexa-1,3,4-triene, CH3CH=C=CHCH=CH2, bis(4-chlorophenyl)-diethylstannane, RefChem:72243
| Molecular Formula | C6H8 |
|---|---|
| Molecular Weight | 80.06 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 | 80.0626 |
| Heavy Atoms | 6 |
| Complexity | 82.0 |
Chemical Identifiers
| CAS Number | 33756-16-0 |
|---|---|
| SMILES | CC=C=CC=C |
| InChIKey | VZSDWRJYMYVVEU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,4-Hexatriene (CAS 33756-16-0), with molecular formula C6H8 and molecular weight 80.06 g/mol. IUPAC: hexa-1,3,4-triene.
Chemical Property Profile of 1,3,4-Hexatriene
Property Insights of 1,3,4-Hexatriene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3,4-Hexatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,3,4-Hexatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,4-Hexatriene 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 1,3,4-Hexatriene?
The CAS number of 1,3,4-Hexatriene is 33756-16-0.
What is the molecular formula of 1,3,4-Hexatriene?
The molecular formula of 1,3,4-Hexatriene is C6H8.
What is the molecular weight of 1,3,4-Hexatriene?
The molecular weight of 1,3,4-Hexatriene is 80.06 g/mol.
Where can I buy 1,3,4-Hexatriene?
You can request a quote for 1,3,4-Hexatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,4-Hexatriene?
Yes, KEHONG BIO provides custom synthesis services for 1,3,4-Hexatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.