RefChem:854068
TL;DR: RefChem:854068 (CAS 68025-40-1) is a chemical compound with molecular formula C4H18N4NiO8P2 and molecular weight 370.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;[carboxymethyl-[[hydroxy(oxido)phosphanyl]oxymethyl]amino]methyl hydrogen phosphite;nickel(2+)
Also Known As: Triammonium nickelous N-carboxymethylnitrilodi(methylenephosphonate), Triammonium [N,N-bis(phosphonomethyl)glycinato(5-)]nickelate(3-), Nickelate(3-), (N,N-bis((phosphono-kappaO)methyl)glycinato(5-)-kappaN,kappaO)-, triammonium, (T-4)-, Triammonium (N,N-bis(phosphonomethyl)glycinato(5-))nickelate(3-), Nickelate(3-), (N,N-bis((phosphono-kappaO)methyl)glycinato(5-)-kappaN,kappaO)-, ammonium (1:3), (T-4)-
| Molecular Formula | C4H18N4NiO8P2 |
|---|---|
| Molecular Weight | 370.00 g/mol |
| LogP | -2.04 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 8 |
| Exact Mass | 369.99533 |
| Heavy Atoms | 19 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 68025-40-1 |
|---|---|
| SMILES | C(C(=O)O)N(COP(O)[O-])COP(O)[O-].N.N.N.[Ni+2] |
| InChIKey | SPKFPCYRCZSIMO-UHFFFAOYSA-N |
Product Overview
RefChem:854068 (CAS 68025-40-1), with molecular formula C4H18N4NiO8P2 and molecular weight 370.00 g/mol. IUPAC: azane;[carboxymethyl-[[hydroxy(oxido)phosphanyl]oxymethyl]amino]methyl hydrogen phosphite;nickel(2+).
Chemical Property Profile of RefChem:854068
Property Insights of RefChem:854068
The XLogP value of -2.04 indicates that RefChem:854068 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting RefChem:854068 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:854068 has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:854068?
The CAS number of RefChem:854068 is 68025-40-1.
What is the molecular formula of RefChem:854068?
The molecular formula of RefChem:854068 is C4H18N4NiO8P2.
What is the molecular weight of RefChem:854068?
The molecular weight of RefChem:854068 is 370.00 g/mol.
Where can I buy RefChem:854068?
You can request a quote for RefChem:854068 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:854068?
Yes, KEHONG BIO provides custom synthesis services for RefChem:854068 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.