Sequestrene NI
TL;DR: Sequestrene NI (CAS 25481-21-4) is a chemical compound with molecular formula C10H14N2NiO8 and molecular weight 348.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;nickel(2+)
Also Known As: Sequestrene NI, Sequestrene NA2NI, Nickel EDTA, Disodium nickel EDTA, Nickel(II) EDTA complex
| Molecular Formula | C10H14N2NiO8 |
|---|---|
| Molecular Weight | 348.01 g/mol |
| LogP | -4.74 |
| Topological Polar Surface Area | 161.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 348.01035 |
| Heavy Atoms | 21 |
| Complexity | 336.0 |
Chemical Identifiers
| CAS Number | 25481-21-4 |
|---|---|
| SMILES | C(CN(CC(=O)O)CC(=O)[O-])N(CC(=O)O)CC(=O)[O-].[Ni+2] |
| InChIKey | HTLPAEWBUABNNS-UHFFFAOYSA-L |
Product Overview
Sequestrene NI (CAS 25481-21-4), with molecular formula C10H14N2NiO8 and molecular weight 348.01 g/mol. IUPAC: 2-[2-[carboxylatomethyl(carboxymethyl)amino]ethyl-(carboxymethyl)amino]acetate;nickel(2+).
Chemical Property Profile of Sequestrene NI
Property Insights of Sequestrene NI
The XLogP value of -4.74 indicates that Sequestrene NI is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 161.0 Ų indicates high polarity, suggesting Sequestrene NI may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Sequestrene NI has 2 hydrogen bond donor(s) and 10 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 Sequestrene NI?
The CAS number of Sequestrene NI is 25481-21-4.
What is the molecular formula of Sequestrene NI?
The molecular formula of Sequestrene NI is C10H14N2NiO8.
What is the molecular weight of Sequestrene NI?
The molecular weight of Sequestrene NI is 348.01 g/mol.
Where can I buy Sequestrene NI?
You can request a quote for Sequestrene NI directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sequestrene NI?
Yes, KEHONG BIO provides custom synthesis services for Sequestrene NI and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.