RefChem:854073
TL;DR: RefChem:854073 (CAS 67968-22-3) is a chemical compound with molecular formula C3H19N4NiO9P3 and molecular weight 405.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
triazanium;hydron;nickel(2+);1-phosphonato-N,N-bis(phosphonatomethyl)methanamine
Also Known As: Triammonium nickelous nitrilotri(methylene phosphonate), Nickelate(4-), ((((nitrilo-kappaN)tris(methylene))tris(phosphonato-kappaO))(6-))-, triammonium hydrogen, (T-4)-, Triammonium hydrogen [[[nitrilotris(methylene)]tris[phosphonato]](6-)]nickelate(4-), Nickelate(4-), ((P,P'-((nitrilo-kappaN)tris(methylene))tris(phosphonato-kappaO))(6-))-, ammonium hydrogen (1:3:1), (T-4)-, Triammonium hydrogen (((nitrilotris(methylene))tris(phosphonato))(6-))nickelate(4-)
| Molecular Formula | C3H19N4NiO9P3 |
|---|---|
| Molecular Weight | 405.97 g/mol |
| LogP | -3.8594 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 3 |
| Exact Mass | 405.97183 |
| Heavy Atoms | 20 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 67968-22-3 |
|---|---|
| SMILES | [H+].C(N(CP(=O)([O-])[O-])CP(=O)([O-])[O-])P(=O)([O-])[O-].[NH4+].[NH4+].[NH4+].[Ni+2] |
| InChIKey | FXFFRFVAMAJTLR-UHFFFAOYSA-L |
Product Overview
RefChem:854073 (CAS 67968-22-3), with molecular formula C3H19N4NiO9P3 and molecular weight 405.97 g/mol. IUPAC: triazanium;hydron;nickel(2+);1-phosphonato-N,N-bis(phosphonatomethyl)methanamine.
Chemical Property Profile of RefChem:854073
Property Insights of RefChem:854073
The XLogP value of -3.8594 indicates that RefChem:854073 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 196.0 Ų indicates high polarity, suggesting RefChem:854073 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:854073 has 4 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 RefChem:854073?
The CAS number of RefChem:854073 is 67968-22-3.
What is the molecular formula of RefChem:854073?
The molecular formula of RefChem:854073 is C3H19N4NiO9P3.
What is the molecular weight of RefChem:854073?
The molecular weight of RefChem:854073 is 405.97 g/mol.
Where can I buy RefChem:854073?
You can request a quote for RefChem:854073 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:854073?
Yes, KEHONG BIO provides custom synthesis services for RefChem:854073 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.