RefChem:854069
TL;DR: RefChem:854069 (CAS 63597-34-2) is a chemical compound with molecular formula C4H6K3NNiO8P2 and molecular weight 432.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tripotassium;2-[bis(phosphonatomethyl)amino]acetate;nickel(2+)
Also Known As: Tripotassium nickelous N-carboxymethylnitrilodi(methylenephosphonate), nickel(2+) potassium[bis(phosphonatomethyl)amino]acetate(1:3:1), Tripotassium (N,N-bis(phosphonomethyl)glycinato(5-))nickelate(3-), Tripotassium [N,N-bis(phosphonomethyl)glycinato(5-)]nickelate(3-), Nickelate(3-), (N,N-bis((phosphono-kappaO)methyl)glycinato(5-)-kappaN,kappaO)-, potassium (1:3), (T-4)-
| Molecular Formula | C4H6K3NNiO8P2 |
|---|---|
| Molecular Weight | 432.78 g/mol |
| LogP | -14.21 |
| Topological Polar Surface Area | 170.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 432.78333 |
| Heavy Atoms | 19 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 63597-34-2 |
|---|---|
| SMILES | C(C(=O)[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[Ni+2] |
| InChIKey | XAMPVQZAVBHGSA-UHFFFAOYSA-I |
Product Overview
RefChem:854069 (CAS 63597-34-2), with molecular formula C4H6K3NNiO8P2 and molecular weight 432.78 g/mol. IUPAC: tripotassium;2-[bis(phosphonatomethyl)amino]acetate;nickel(2+).
Chemical Property Profile of RefChem:854069
Property Insights of RefChem:854069
The XLogP value of -14.21 indicates that RefChem:854069 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 170.0 Ų indicates high polarity, suggesting RefChem:854069 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:854069 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:854069?
The CAS number of RefChem:854069 is 63597-34-2.
What is the molecular formula of RefChem:854069?
The molecular formula of RefChem:854069 is C4H6K3NNiO8P2.
What is the molecular weight of RefChem:854069?
The molecular weight of RefChem:854069 is 432.78 g/mol.
Where can I buy RefChem:854069?
You can request a quote for RefChem:854069 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:854069?
Yes, KEHONG BIO provides custom synthesis services for RefChem:854069 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.