Nickel 2-oxopentanedioate
TL;DR: Nickel 2-oxopentanedioate (CAS 132428-46-7) is a chemical compound with molecular formula C11H22ClNNiO9S and molecular weight 437.0057 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-amino-4-dimethylsulfoniobutanoate;nickel(2+);2-oxopentanedioate;dihydrate;hydrochloride
Also Known As: Nickel 2-oxopentanedioate, Diaquo-alpha-ketoglutarato-O,O(sup alpha)-chloro-S-methylmethioninato-O,N-nickel(II), Nickel, ((3-amino-3-carboxypropyl)dimethylsulfoniumato-N,O)diaqua(2-oxopentanedioato(2-)-O(sup 1),O(sup 2))-, hydrochloride, Nickel, ((3-amino-3-carboxypropyl)dimethylsulfoniumato-N,O)diaqua(2-oxopentanedioato(2-)-O1,O2)-, hydrochloride, 2-amino-4-dimethylsulfoniobutanoate; nickel(2+); 2-oxopentanedioate; dihydrate; hydrochloride
Technical Specifications
| Molecular Formula | C11H22ClNNiO9S |
| Molecular Weight | 437.0057 g/mol |
| XLogP | -6.063 |
| Topological Polar Surface Area (TPSA) | 166.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0057 Da |
| Heavy Atoms | 24 |
| Complexity | 271.0 |
| SMILES | C[S+](C)CCC(C(=O)[O-])N.C(CC(=O)[O-])C(=O)C(=O)[O-].O.O.Cl.[Ni+2] |
| InChIKey | AQWDIPGRUBHKCW-UHFFFAOYSA-L |
Chemical Property Profile of Nickel 2-oxopentanedioate
Property Insights of Nickel 2-oxopentanedioate
The XLogP value of -6.063 indicates that Nickel 2-oxopentanedioate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 166.0 Ų indicates high polarity, suggesting Nickel 2-oxopentanedioate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Nickel 2-oxopentanedioate has 4 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Nickel 2-oxopentanedioate?
The CAS number of Nickel 2-oxopentanedioate is 132428-46-7.
What is the molecular formula of Nickel 2-oxopentanedioate?
The molecular formula of Nickel 2-oxopentanedioate is C11H22ClNNiO9S.
What is the molecular weight of Nickel 2-oxopentanedioate?
The molecular weight of Nickel 2-oxopentanedioate is 437.0057 g/mol.
Where can I buy Nickel 2-oxopentanedioate?
You can request a quote for Nickel 2-oxopentanedioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Nickel 2-oxopentanedioate?
Yes, CoreyChem provides custom synthesis services for Nickel 2-oxopentanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.