RefChem:165703
TL;DR: RefChem:165703 (CAS 68958-87-2) is a chemical compound with molecular formula C6H13K5N2NiO12P4 and molecular weight 681.70 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
pentapotassium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine
Also Known As: Pentapotassium nickelous 1,2-ethane di(nitrilodi(methylene phosphonate)), Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, pentapotassium hydrogen, (OC-6-21)-, Nickelate(6-), (((1,2-ethanediylbis((nitrilo-kappaN)bis(methylene)))tetrakis(phosphonato-kappaO))(8-))-, potassium hydrogen (1:5:1), (OC-6-21)-, HYDROGEN PENTAPOTASSIUM [[[ETHYLENEBIS[NITRILOBIS(METHYLENE)]]TETRAKIS[PHOSPHONATO]](8-)]NICKELATE(6-), Nickelate(6-), [[[1,2-ethanediylbis[(nitrilo-.kappa.N)bis(methylene)]]tetrakis[phosphonato-.kappa.O]](8-)]-, pentapotassium hydrogen, (OC-6-21)-
| Molecular Formula | C6H13K5N2NiO12P4 |
|---|---|
| Molecular Weight | 681.70 g/mol |
| LogP | -21.7948 |
| Topological Polar Surface Area | 259.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 7 |
| Exact Mass | 681.6958 |
| Heavy Atoms | 30 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 68958-87-2 |
|---|---|
| SMILES | [H+].C(CN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])N(CP(=O)([O-])[O-])CP(=O)([O-])[O-].[K+].[K+].[K+].[K+].[K+].[Ni+2] |
| InChIKey | OKQSEMOGVIXKTK-UHFFFAOYSA-G |
Product Overview
RefChem:165703 (CAS 68958-87-2), with molecular formula C6H13K5N2NiO12P4 and molecular weight 681.70 g/mol. IUPAC: pentapotassium;hydron;nickel(2+);N,N,N',N'-tetrakis(phosphonatomethyl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:165703
Property Insights of RefChem:165703
The XLogP value of -21.7948 indicates that RefChem:165703 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 259.0 Ų indicates high polarity, suggesting RefChem:165703 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:165703 has 1 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 RefChem:165703?
The CAS number of RefChem:165703 is 68958-87-2.
What is the molecular formula of RefChem:165703?
The molecular formula of RefChem:165703 is C6H13K5N2NiO12P4.
What is the molecular weight of RefChem:165703?
The molecular weight of RefChem:165703 is 681.70 g/mol.
Where can I buy RefChem:165703?
You can request a quote for RefChem:165703 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:165703?
Yes, KEHONG BIO provides custom synthesis services for RefChem:165703 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.