Phenethyl hexa-2,4-dienoate
TL;DR: Phenethyl hexa-2,4-dienoate (CAS 1003863-62-4) is a chemical compound with molecular formula C14H16O2 and molecular weight 216.11504 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl (2E,4E)-hexa-2,4-dienoate
Also Known As: Phenethyl hexa-2,4-dienoate, 2-phenylethyl hexa-2,4-dienoate, 2-Phenylethyl 2,4-hexadienoate, EINECS 252-553-4, 2,4-Hexadienoic acid, 2-phenylethyl ester
Technical Specifications
| Molecular Formula | C14H16O2 |
| Molecular Weight | 216.11504 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 216.11504 Da |
| Heavy Atoms | 16 |
| Complexity | 247.0 |
| SMILES | C/C=C/C=C/C(=O)OCCC1=CC=CC=C1 |
| InChIKey | PPZYQYDDSJRELL-XPQLPGEHSA-N |
Chemical Property Profile of Phenethyl hexa-2,4-dienoate
Property Insights of Phenethyl hexa-2,4-dienoate
The XLogP value of 3.8 indicates that Phenethyl hexa-2,4-dienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Phenethyl hexa-2,4-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl hexa-2,4-dienoate has 0 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 Phenethyl hexa-2,4-dienoate?
The CAS number of Phenethyl hexa-2,4-dienoate is 1003863-62-4.
What is the molecular formula of Phenethyl hexa-2,4-dienoate?
The molecular formula of Phenethyl hexa-2,4-dienoate is C14H16O2.
What is the molecular weight of Phenethyl hexa-2,4-dienoate?
The molecular weight of Phenethyl hexa-2,4-dienoate is 216.11504 g/mol.
Where can I buy Phenethyl hexa-2,4-dienoate?
You can request a quote for Phenethyl hexa-2,4-dienoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phenethyl hexa-2,4-dienoate?
Yes, CoreyChem provides custom synthesis services for Phenethyl hexa-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.