Ethyl sorbate
TL;DR: Ethyl sorbate (CAS 5941-48-0) 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.
ethyl (2E,4E)-hexa-2,4-dienoate
Also Known As: ETHYL SORBATE, Ethyl hexa-2,4-dienoate, Ethyl 2,4-hexadienoate, ethylsorbate, Sorbic acid, ethyl ester
| Molecular Formula | C8H12O2 |
|---|---|
| Molecular Weight | 140.08 g/mol |
| LogP | 1.6818 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 140.08372 |
| Heavy Atoms | 10 |
| Complexity | 145.33658 |
Chemical Identifiers
| CAS Number | 5941-48-0 |
|---|---|
| SMILES | CCOC(=O)/C=C/C=C/C |
Product Overview
Ethyl sorbate (CAS 5941-48-0), with molecular formula C8H12O2 and molecular weight 140.08 g/mol. IUPAC: ethyl (2E,4E)-hexa-2,4-dienoate.
Chemical Property Profile of Ethyl sorbate
Property Insights of Ethyl sorbate
The XLogP value of 1.6818 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl sorbate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl sorbate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 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 Ethyl sorbate?
The CAS number of Ethyl sorbate is 5941-48-0.
What is the molecular formula of Ethyl sorbate?
The molecular formula of Ethyl sorbate is C8H12O2.
What is the molecular weight of Ethyl sorbate?
The molecular weight of Ethyl sorbate is 140.08 g/mol.
Where can I buy Ethyl sorbate?
You can request a quote for Ethyl sorbate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl sorbate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl sorbate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.