Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate
TL;DR: Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate (CAS 3998-50-3) is a chemical compound with molecular formula C3H10K2NO9P3 and molecular weight 374.88 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dipotassium;[phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
Also Known As: EINECS 223-643-0, Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate, Dipotassium tetrahydrogen [nitrilotris(methylene)]trisphosphonate, Dipotassium {[bis(phosphonomethyl)amino]methyl}phosphonate, dipotassium [phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid
| Molecular Formula | C3H10K2NO9P3 |
|---|---|
| Molecular Weight | 374.88 g/mol |
| LogP | -8.562 |
| Topological Polar Surface Area | 181.49 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 374.88425 |
| Heavy Atoms | 18 |
| Complexity | 314.1955 |
Chemical Identifiers
| CAS Number | 3998-50-3 |
|---|---|
| SMILES | C(N(CP(=O)(O)O)CP(=O)([O-])[O-])P(=O)(O)O.[K+].[K+] |
Product Overview
Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate (CAS 3998-50-3), with molecular formula C3H10K2NO9P3 and molecular weight 374.88 g/mol. IUPAC: dipotassium;[phosphonatomethyl(phosphonomethyl)amino]methylphosphonic acid.
Chemical Property Profile of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate
Property Insights of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate
The XLogP value of -8.562 indicates that Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 181.49 Ų indicates high polarity, suggesting Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate has 4 hydrogen bond donor(s) and 6 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 Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate?
The CAS number of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate is 3998-50-3.
What is the molecular formula of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate?
The molecular formula of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate is C3H10K2NO9P3.
What is the molecular weight of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate?
The molecular weight of Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate is 374.88 g/mol.
Where can I buy Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate?
You can request a quote for Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Dipotassium tetrahydrogen (nitrilotris(methylene))trisphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.