E,E-2,4-Hexadienyl acetate
TL;DR: E,E-2,4-Hexadienyl acetate (CAS 1516-17-2) is a chemical compound with molecular formula C8H12O2 and molecular weight 140.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexa-2,4-dienyl acetate
Also Known As: Sorbyl acetate, Hexa-2,4-dienyl acetate, 2,4-Hexadienyl acetate, Hexa-2,4-dien-1-yl acetate, 2,4-Hexadien-1-ol, 1-acetate
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 145.0 |
Chemical Identifiers
| CAS Number | 1516-17-2 |
|---|---|
| SMILES | CC=CC=CCOC(=O)C |
| InChIKey | PXVKYPFROMBALG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
E,E-2,4-Hexadienyl acetate (CAS 1516-17-2), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: hexa-2,4-dienyl acetate.
Chemical Property Profile of E,E-2,4-Hexadienyl acetate
Property Insights of E,E-2,4-Hexadienyl acetate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for E,E-2,4-Hexadienyl acetate. With a topological polar surface area (TPSA) of 26.3 Ų, E,E-2,4-Hexadienyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, E,E-2,4-Hexadienyl acetate 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
Frequently Asked Questions
What is the CAS number of E,E-2,4-Hexadienyl acetate?
The CAS number of E,E-2,4-Hexadienyl acetate is 1516-17-2.
What is the molecular formula of E,E-2,4-Hexadienyl acetate?
The molecular formula of E,E-2,4-Hexadienyl acetate is C8H12O2.
What is the molecular weight of E,E-2,4-Hexadienyl acetate?
The molecular weight of E,E-2,4-Hexadienyl acetate is 140.08 g/mol.
Where can I buy E,E-2,4-Hexadienyl acetate?
You can request a quote for E,E-2,4-Hexadienyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for E,E-2,4-Hexadienyl acetate?
Yes, KEHONG BIO provides custom synthesis services for E,E-2,4-Hexadienyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.