Octa-1,3,5,7-tetraene
TL;DR: Octa-1,3,5,7-tetraene (CAS 1871-51-8) is a chemical compound with molecular formula C=CC=CC=CC=C and molecular weight 106.07825 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
octa-1,3,5,7-tetraene
Also Known As: octatetrene, 1,3,5,7-Octatetraene, (E,E)-1,3,5,7-Octatetraene, OCTA-1,3,5,7-TETRAENE, 1,3,5,7-Octatetraene, (E,Z)-
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C=CC=CC=CC=C |
| Molecular Weight | 106.07825 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 3 |
| Exact Mass | 106.07825 Da |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
| SMILES | C=CC=CC=CC=C |
| InChIKey | VXQUABLSXKFKLO-UHFFFAOYSA-N |
Product Description
Applications: Octa-1,3,5,7-tetraene is used in pharmaceutical synthesis routes and API production, 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).
Octa-1,3,5,7-tetraene (CAS 1871-51-8) is a pharmaceutical intermediate with the molecular formula C=CC=CC=CC=C and a molecular weight of 106.08 g/mol. Synonyms include octatetrene and 1,3,5,7-Octatetraene.
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 Octa-1,3,5,7-tetraene
Property Insights of Octa-1,3,5,7-tetraene
The XLogP value of 3.1 indicates that Octa-1,3,5,7-tetraene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, Octa-1,3,5,7-tetraene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octa-1,3,5,7-tetraene 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 Octa-1,3,5,7-tetraene?
The CAS number of Octa-1,3,5,7-tetraene is 1871-51-8.
What is the molecular formula of Octa-1,3,5,7-tetraene?
The molecular formula of Octa-1,3,5,7-tetraene is C=CC=CC=CC=C.
What is the molecular weight of Octa-1,3,5,7-tetraene?
The molecular weight of Octa-1,3,5,7-tetraene is 106.07825 g/mol.
What are the applications of Octa-1,3,5,7-tetraene?
Octa-1,3,5,7-tetraene is used in pharmaceutical synthesis routes and API production, 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 Octa-1,3,5,7-tetraene?
You can request a quote for Octa-1,3,5,7-tetraene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Octa-1,3,5,7-tetraene?
Yes, CoreyChem provides custom synthesis services for Octa-1,3,5,7-tetraene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.