(E,E)-allyl sorbate
TL;DR: (E,E)-allyl sorbate (CAS 30895-79-5) is a chemical compound with molecular formula C9H12O2 and molecular weight 152.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl hexa-2,4-dienoate
Also Known As: ALLYL SORBATE, (E,E)-allyl sorbate, Allyl 2,4-hexadienoate, PROP-2-EN-1-YL HEXA-2,4-DIENOATE, 2,4-Hexadienoic acid, 2-propenyl ester, (2E,4E)-
| Molecular Formula | C9H12O2 |
|---|---|
| Molecular Weight | 152.08 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 152.08372 |
| Heavy Atoms | 11 |
| Complexity | 178.0 |
Chemical Identifiers
| CAS Number | 30895-79-5 |
|---|---|
| SMILES | CC=CC=CC(=O)OCC=C |
| InChIKey | CVNZYQJBZIJLCL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(E,E)-allyl sorbate (CAS 30895-79-5), with molecular formula C9H12O2 and molecular weight 152.08 g/mol. IUPAC: prop-2-enyl hexa-2,4-dienoate.
Chemical Property Profile of (E,E)-allyl sorbate
Property Insights of (E,E)-allyl sorbate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E,E)-allyl sorbate. With a topological polar surface area (TPSA) of 26.3 Ų, (E,E)-allyl sorbate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,E)-allyl sorbate 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)-allyl sorbate?
The CAS number of (E,E)-allyl sorbate is 30895-79-5.
What is the molecular formula of (E,E)-allyl sorbate?
The molecular formula of (E,E)-allyl sorbate is C9H12O2.
What is the molecular weight of (E,E)-allyl sorbate?
The molecular weight of (E,E)-allyl sorbate is 152.08 g/mol.
Where can I buy (E,E)-allyl sorbate?
You can request a quote for (E,E)-allyl sorbate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E,E)-allyl sorbate?
Yes, KEHONG BIO provides custom synthesis services for (E,E)-allyl sorbate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.