Copper bis(hexa-2,4-dienoate)
TL;DR: Copper bis(hexa-2,4-dienoate) (CAS 13991-87-2) is a chemical compound with molecular formula C12H14CuO4 and molecular weight 285.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
copper bis(hexa-2,4-dienoate)
Also Known As: Copper sorbate, Sorbic acid, copper salt, Sorbic acid copper(2+) salt (2:1), 2,4-Hexadienoic acid, copper(2) salt, (E,E)-, 2,4-Hexadienoic acid, copper(2+) salt, (E,E)- (9CI)
| Molecular Formula | C12H14CuO4 |
|---|---|
| Molecular Weight | 285.02 g/mol |
| LogP | -0.27 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 285.0188 |
| Heavy Atoms | 17 |
| Complexity | 117.0 |
Chemical Identifiers
| CAS Number | 13991-87-2 |
|---|---|
| SMILES | CC=CC=CC(=O)[O-].CC=CC=CC(=O)[O-].[Cu+2] |
| InChIKey | VGWUQCWVUNUPMX-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Copper bis(hexa-2,4-dienoate) (CAS 13991-87-2), with molecular formula C12H14CuO4 and molecular weight 285.02 g/mol. IUPAC: copper bis(hexa-2,4-dienoate).
Chemical Property Profile of Copper bis(hexa-2,4-dienoate)
Property Insights of Copper bis(hexa-2,4-dienoate)
The XLogP value of -0.27 indicates that Copper bis(hexa-2,4-dienoate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Copper bis(hexa-2,4-dienoate). Following Lipinski's Rule of Five, Copper bis(hexa-2,4-dienoate) has 0 hydrogen bond donor(s) and 4 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 Copper bis(hexa-2,4-dienoate)?
The CAS number of Copper bis(hexa-2,4-dienoate) is 13991-87-2.
What is the molecular formula of Copper bis(hexa-2,4-dienoate)?
The molecular formula of Copper bis(hexa-2,4-dienoate) is C12H14CuO4.
What is the molecular weight of Copper bis(hexa-2,4-dienoate)?
The molecular weight of Copper bis(hexa-2,4-dienoate) is 285.02 g/mol.
Where can I buy Copper bis(hexa-2,4-dienoate)?
You can request a quote for Copper bis(hexa-2,4-dienoate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Copper bis(hexa-2,4-dienoate)?
Yes, KEHONG BIO provides custom synthesis services for Copper bis(hexa-2,4-dienoate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.