Cyclohexatriene
TL;DR: Cyclohexatriene (CAS 17333-73-2) is a chemical compound with molecular formula C6H5+ and molecular weight 77.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
cyclohexatriene
Also Known As: Cyclohexatriene, Phenyl cation, Benzen-1-ylium, BENZENYLIUM
| Molecular Formula | C6H5+ |
|---|---|
| Molecular Weight | 77.04 g/mol |
| LogP | 1.47179 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 77.03912 |
| Heavy Atoms | 6 |
| Complexity | 69.43228 |
Chemical Identifiers
| CAS Number | 17333-73-2 |
|---|---|
| SMILES | C1=CC=[C+]C=C1 |
Product Overview
Cyclohexatriene (CAS 17333-73-2), with molecular formula C6H5+ and molecular weight 77.04 g/mol. IUPAC: cyclohexatriene.
Chemical Property Profile of Cyclohexatriene
Property Insights of Cyclohexatriene
The XLogP value of 1.47179 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cyclohexatriene. With a topological polar surface area (TPSA) of 0.0 Ų, Cyclohexatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cyclohexatriene 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 Cyclohexatriene?
The CAS number of Cyclohexatriene is 17333-73-2.
What is the molecular formula of Cyclohexatriene?
The molecular formula of Cyclohexatriene is C6H5+.
What is the molecular weight of Cyclohexatriene?
The molecular weight of Cyclohexatriene is 77.04 g/mol.
Where can I buy Cyclohexatriene?
You can request a quote for Cyclohexatriene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cyclohexatriene?
Yes, KEHONG BIO provides custom synthesis services for Cyclohexatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.