2,4-Hexadienoic acid, 2-phenylethyl ester
TL;DR: 2,4-Hexadienoic acid, 2-phenylethyl ester (CAS 35416-42-3) 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 hexa-2,4-dienoate
Also Known As: Phenethyl hexa-2,4-dienoate, 2-phenylethyl hexa-2,4-dienoate, 2,4-Hexadienoic acid, 2-phenylethyl ester, 2,4-Hexadienoic acid,2-phenylethyl ester, EINECS 252-553-4
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 | CC=CC=CC(=O)OCCC1=CC=CC=C1 |
| InChIKey | PPZYQYDDSJRELL-UHFFFAOYSA-N |
Chemical Property Profile of 2,4-Hexadienoic acid, 2-phenylethyl ester
Property Insights of 2,4-Hexadienoic acid, 2-phenylethyl ester
The XLogP value of 3.8 indicates that 2,4-Hexadienoic acid, 2-phenylethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 2,4-Hexadienoic acid, 2-phenylethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4-Hexadienoic acid, 2-phenylethyl ester 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 2,4-Hexadienoic acid, 2-phenylethyl ester?
The CAS number of 2,4-Hexadienoic acid, 2-phenylethyl ester is 35416-42-3.
What is the molecular formula of 2,4-Hexadienoic acid, 2-phenylethyl ester?
The molecular formula of 2,4-Hexadienoic acid, 2-phenylethyl ester is C14H16O2.
What is the molecular weight of 2,4-Hexadienoic acid, 2-phenylethyl ester?
The molecular weight of 2,4-Hexadienoic acid, 2-phenylethyl ester is 216.11504 g/mol.
Where can I buy 2,4-Hexadienoic acid, 2-phenylethyl ester?
You can request a quote for 2,4-Hexadienoic acid, 2-phenylethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,4-Hexadienoic acid, 2-phenylethyl ester?
Yes, CoreyChem provides custom synthesis services for 2,4-Hexadienoic acid, 2-phenylethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.