Trisodium aminotris(methylenephosphonate)
TL;DR: Trisodium aminotris(methylenephosphonate) (CAS 7611-50-9) is a chemical compound with molecular formula C3H9NNa3O9P3 and molecular weight 364.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trisodium;hydroxy-[[phosphonatomethyl(phosphonomethyl)amino]methyl]phosphinate
Also Known As: trisodium aminotris(methylenephosphonate), Nitrilotris(methylenephosphonic acid) trisodium, Trisodium trihydrogen (nitrilotris(methylene))trisphosphonate, Phosphonic acid, [nitrilotris(methylene)]tris-, trisodium salt, Phosphonic acid, (nitrilotris(methylene))tri-, trisodium salt
| Molecular Formula | C3H9NNa3O9P3 |
|---|---|
| Molecular Weight | 364.92 g/mol |
| LogP | -12.19 |
| Topological Polar Surface Area | 184.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 5 |
| Exact Mass | 364.91833 |
| Heavy Atoms | 19 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 7611-50-9 |
|---|---|
| SMILES | C(N(CP(=O)(O)[O-])CP(=O)([O-])[O-])P(=O)(O)O.[Na+].[Na+].[Na+] |
| InChIKey | SOBHUZYZLFQYFK-UHFFFAOYSA-K |
Product Overview
Trisodium aminotris(methylenephosphonate) (CAS 7611-50-9), with molecular formula C3H9NNa3O9P3 and molecular weight 364.92 g/mol. IUPAC: trisodium;hydroxy-[[phosphonatomethyl(phosphonomethyl)amino]methyl]phosphinate.
Chemical Property Profile of Trisodium aminotris(methylenephosphonate)
Property Insights of Trisodium aminotris(methylenephosphonate)
The XLogP value of -12.19 indicates that Trisodium aminotris(methylenephosphonate) is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 184.0 Ų indicates high polarity, suggesting Trisodium aminotris(methylenephosphonate) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Trisodium aminotris(methylenephosphonate) has 3 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 Trisodium aminotris(methylenephosphonate)?
The CAS number of Trisodium aminotris(methylenephosphonate) is 7611-50-9.
What is the molecular formula of Trisodium aminotris(methylenephosphonate)?
The molecular formula of Trisodium aminotris(methylenephosphonate) is C3H9NNa3O9P3.
What is the molecular weight of Trisodium aminotris(methylenephosphonate)?
The molecular weight of Trisodium aminotris(methylenephosphonate) is 364.92 g/mol.
Where can I buy Trisodium aminotris(methylenephosphonate)?
You can request a quote for Trisodium aminotris(methylenephosphonate) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trisodium aminotris(methylenephosphonate)?
Yes, KEHONG BIO provides custom synthesis services for Trisodium aminotris(methylenephosphonate) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.