Cycloheptatriene
TL;DR: Cycloheptatriene (CAS 544-25-2) is a chemical compound with molecular formula C7H8 and molecular weight 92.0626 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
cyclohepta-1,3,5-triene
Also Known As: Cycloheptatriene, Tropilidene, Cyclohepta-1,3,5-triene, Tropilidine, 1,3,5-CYCLOHEPTATRIENE
Application Areas
Top 5 of 20 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C7H8 |
| Molecular Weight | 92.0626 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 92.0626 Da |
| Heavy Atoms | 7 |
| Complexity | 102.0 |
| Vapor Pressure | 23.5 [mmHg] |
| SMILES | C1C=CC=CC=C1 |
| InChIKey | CHVJITGCYZJHLR-UHFFFAOYSA-N |
Product Description
Applications: Cycloheptatriene is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Cycloheptatriene is a polymer intermediate identified by CAS number 544-25-2 and the molecular formula C7H8 and a molecular weight of 92.06 g/mol. Synonyms include Cycloheptatriene and Tropilidene.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Cycloheptatriene
Property Insights of Cycloheptatriene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cycloheptatriene. With a topological polar surface area (TPSA) of 0.0 Ų, Cycloheptatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cycloheptatriene 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
What is the CAS number of Cycloheptatriene?
The CAS number of Cycloheptatriene is 544-25-2.
What is the molecular formula of Cycloheptatriene?
The molecular formula of Cycloheptatriene is C7H8.
What is the molecular weight of Cycloheptatriene?
The molecular weight of Cycloheptatriene is 92.0626 g/mol.
What are the applications of Cycloheptatriene?
Cycloheptatriene is used in polymer chemistry and functional materials synthesis, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Cycloheptatriene?
You can request a quote for Cycloheptatriene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Cycloheptatriene?
Yes, CoreyChem provides custom synthesis services for Cycloheptatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.