Trinickel dicitrate
TL;DR: Trinickel dicitrate (CAS 5438-50-6) is a chemical compound with molecular formula C12H10Ni3O14 and molecular weight 551.81 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(nickel(2+))
Also Known As: Nickel citrate, Trinickel dicitrate, Triickel dicitrate, trinickelous;dicitrate, trinickel(2+) dicitrate
| Molecular Formula | C12H10Ni3O14 |
|---|---|
| Molecular Weight | 551.81 g/mol |
| LogP | -10.5127 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 4 |
| Exact Mass | 551.8131 |
| Heavy Atoms | 29 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 5438-50-6 |
|---|---|
| SMILES | C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Ni+2].[Ni+2].[Ni+2] |
| InChIKey | UPPLJLAHMKABPR-UHFFFAOYSA-H |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trinickel dicitrate (CAS 5438-50-6), with molecular formula C12H10Ni3O14 and molecular weight 551.81 g/mol. IUPAC: bis(2-hydroxypropane-1,2,3-tricarboxylate);tris(nickel(2+)).
Chemical Property Profile of Trinickel dicitrate
Property Insights of Trinickel dicitrate
The XLogP value of -10.5127 indicates that Trinickel dicitrate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 281.0 Ų indicates high polarity, suggesting Trinickel dicitrate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trinickel dicitrate has 2 hydrogen bond donor(s) and 14 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Trinickel dicitrate?
The CAS number of Trinickel dicitrate is 5438-50-6.
What is the molecular formula of Trinickel dicitrate?
The molecular formula of Trinickel dicitrate is C12H10Ni3O14.
What is the molecular weight of Trinickel dicitrate?
The molecular weight of Trinickel dicitrate is 551.81 g/mol.
Where can I buy Trinickel dicitrate?
You can request a quote for Trinickel dicitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trinickel dicitrate?
Yes, KEHONG BIO provides custom synthesis services for Trinickel dicitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.