1,2,4-Pentatriene
TL;DR: 1,2,4-Pentatriene (CAS 10563-01-6) is a chemical compound with molecular formula C5H6 and molecular weight 66.04695 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
penta-1,2,4-triene
Also Known As: 1,2,4-Pentatriene, Vinylallene, penta-1,2,4-triene, CH2=C=CHCH=CH2, 1,2,4-Pentanetriene
Application Areas
Top 5 of 15 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H6 |
| Molecular Weight | 66.04695 g/mol |
| XLogP | 1.4 |
| Topological Polar Surface Area (TPSA) | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 66.04695 Da |
| Heavy Atoms | 5 |
| Complexity | 64.0 |
| SMILES | C=CC=C=C |
| InChIKey | FNQQBQSISCLVNQ-UHFFFAOYSA-N |
Product Description
Applications: 1,2,4-Pentatriene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2,4-Pentatriene (CAS 10563-01-6) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
1,2,4-Pentatriene (CAS 10563-01-6) is a heterocyclic building block with the molecular formula C5H6 and a molecular weight of 66.05 g/mol. It is also known as 1,2,4-Pentatriene and Vinylallene.
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 1,2,4-Pentatriene
Property Insights of 1,2,4-Pentatriene
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Pentatriene. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2,4-Pentatriene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Pentatriene 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 1,2,4-Pentatriene?
The CAS number of 1,2,4-Pentatriene is 10563-01-6.
What is the molecular formula of 1,2,4-Pentatriene?
The molecular formula of 1,2,4-Pentatriene is C5H6.
What is the molecular weight of 1,2,4-Pentatriene?
The molecular weight of 1,2,4-Pentatriene is 66.04695 g/mol.
What are the applications of 1,2,4-Pentatriene?
1,2,4-Pentatriene is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 1,2,4-Pentatriene (CAS 10563-01-6)...
Where can I buy 1,2,4-Pentatriene?
You can request a quote for 1,2,4-Pentatriene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1,2,4-Pentatriene?
Yes, CoreyChem provides custom synthesis services for 1,2,4-Pentatriene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.