2,4-Hexadienoic Acid
TL;DR: 2,4-Hexadienoic Acid (CAS 110-44-1) is a chemical compound with molecular formula C6H8O2 and molecular weight 112.05243 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexa-2,4-dienoic acid
Also Known As: sorbic acid, Hexa-2,4-dienoic acid, 2,4-Hexadienoic acid, Hexadienoic acid, Sorbicacid
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8O2 |
| Molecular Weight | 112.05243 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 112.05243 Da |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
| SMILES | CC=CC=CC(=O)O |
| InChIKey | WSWCOQWTEOXDQX-UHFFFAOYSA-N |
Product Description
Applications: 2,4-Hexadienoic Acid 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. CoreyChem supplies 2,4-Hexadienoic Acid (CAS 110-44-1) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
2,4-Hexadienoic Acid is a pharmaceutical intermediate identified by CAS number 110-44-1 and the molecular formula C6H8O2 and a molecular weight of 112.05 g/mol. It is also known as sorbic acid and Hexa-2,4-dienoic acid.
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 2,4-Hexadienoic Acid
Property Insights of 2,4-Hexadienoic Acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,4-Hexadienoic Acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2,4-Hexadienoic Acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadienoic Acid has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,4-Hexadienoic Acid?
The CAS number of 2,4-Hexadienoic Acid is 110-44-1.
What is the molecular formula of 2,4-Hexadienoic Acid?
The molecular formula of 2,4-Hexadienoic Acid is C6H8O2.
What is the molecular weight of 2,4-Hexadienoic Acid?
The molecular weight of 2,4-Hexadienoic Acid is 112.05243 g/mol.
What are the applications of 2,4-Hexadienoic Acid?
2,4-Hexadienoic Acid 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. CoreyChem supplies 2,4-Hexadienoic Acid (CAS...
Where can I buy 2,4-Hexadienoic Acid?
You can request a quote for 2,4-Hexadienoic Acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Hexadienoic Acid?
Yes, CoreyChem provides custom synthesis services for 2,4-Hexadienoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.