RefChem:165702
TL;DR: RefChem:165702 (CAS 68025-41-2) is a chemical compound with molecular formula C4H6NNa3NiO8P2 and molecular weight 384.86 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;2-[bis(dioxidophosphanyloxymethyl)amino]acetate;nickel(2+)
Also Known As: Trisodium nickelous N-carboxymethylnitrilodi(methylenephosphonate), nickel(2+) sodium(bis{[(dioxidophosphanyl)oxy]methyl}amino)acetate(1:3:1), trisodium [N,N-bis(phosphonomethyl)glycinato(5-)]nickelate(3-), Trisodium[n,N-bis(phosphonomethyl)glycinato(5-)]nickelate(3-), Trisodium (N,N-bis(phosphonomethyl)glycinato(5-))nickelate(3-)
| Molecular Formula | C4H6NNa3NiO8P2 |
|---|---|
| Molecular Weight | 384.86 g/mol |
| LogP | -14.11 |
| Topological Polar Surface Area | 154.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 384.8615 |
| Heavy Atoms | 19 |
| Complexity | 172.0 |
Chemical Identifiers
| CAS Number | 68025-41-2 |
|---|---|
| SMILES | C(C(=O)[O-])N(COP([O-])[O-])COP([O-])[O-].[Na+].[Na+].[Na+].[Ni+2] |
| InChIKey | VBHJSDYJVBNNBC-UHFFFAOYSA-M |
Product Overview
RefChem:165702 (CAS 68025-41-2), with molecular formula C4H6NNa3NiO8P2 and molecular weight 384.86 g/mol. IUPAC: trisodium;2-[bis(dioxidophosphanyloxymethyl)amino]acetate;nickel(2+).
Chemical Property Profile of RefChem:165702
Property Insights of RefChem:165702
The XLogP value of -14.11 indicates that RefChem:165702 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 154.0 Ų indicates high polarity, suggesting RefChem:165702 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:165702 has 0 hydrogen bond donor(s) and 9 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 RefChem:165702?
The CAS number of RefChem:165702 is 68025-41-2.
What is the molecular formula of RefChem:165702?
The molecular formula of RefChem:165702 is C4H6NNa3NiO8P2.
What is the molecular weight of RefChem:165702?
The molecular weight of RefChem:165702 is 384.86 g/mol.
Where can I buy RefChem:165702?
You can request a quote for RefChem:165702 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:165702?
Yes, KEHONG BIO provides custom synthesis services for RefChem:165702 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.