(E,E)-sorbate
TL;DR: (E,E)-sorbate (CAS 72138-88-6) is a chemical compound with molecular formula C6H7O2- and molecular weight 111.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E,4E)-hexa-2,4-dienoate
Also Known As: sorbate, Sorbate ion, Preservastat, Panosorb, Sorbistat
| Molecular Formula | C6H7O2- |
|---|---|
| Molecular Weight | 111.04 g/mol |
| LogP | -0.1314 |
| Topological Polar Surface Area | 40.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 111.0446 |
| Heavy Atoms | 8 |
| Complexity | 122.49023 |
Chemical Identifiers
| CAS Number | 72138-88-6 |
|---|---|
| SMILES | C/C=C/C=C/C(=O)[O-] |
Product Overview
(E,E)-sorbate (CAS 72138-88-6), with molecular formula C6H7O2- and molecular weight 111.04 g/mol. IUPAC: (2E,4E)-hexa-2,4-dienoate.
Chemical Property Profile of (E,E)-sorbate
Property Insights of (E,E)-sorbate
The XLogP value of -0.1314 indicates that (E,E)-sorbate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.13 Ų, (E,E)-sorbate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E,E)-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)-sorbate?
The CAS number of (E,E)-sorbate is 72138-88-6.
What is the molecular formula of (E,E)-sorbate?
The molecular formula of (E,E)-sorbate is C6H7O2-.
What is the molecular weight of (E,E)-sorbate?
The molecular weight of (E,E)-sorbate is 111.04 g/mol.
Where can I buy (E,E)-sorbate?
You can request a quote for (E,E)-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)-sorbate?
Yes, KEHONG BIO provides custom synthesis services for (E,E)-sorbate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.