RefChem:173599
TL;DR: RefChem:173599 (CAS 68399-63-3) is a chemical compound with molecular formula C7H16N3Na6O9P3 and molecular weight 516.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
hexasodium;N'-[2-[bis(phosphonatomethyl)amino]ethyl]-N'-(phosphonatomethyl)ethane-1,2-diamine
Also Known As: EINECS 269-977-0, Diethylenetriamine tri(methylene phosphonic acids), sodium salt, Diethylenetriamine tri(methylene phosphonic acids) sodium salts, Phosphonic acid, [[[2-[(2-aminoethyl)amino]ethyl]amino]methyl]-, N,N-bis(phosphonomethyl) deriv., sodium salt, Phosphonic acid, P-(((2-((2-aminoethyl)amino)ethyl)amino)methyl)-, N,N-bis(phosphonomethyl) deriv., sodium salt (1:?)
| Molecular Formula | C7H16N3Na6O9P3 |
|---|---|
| Molecular Weight | 516.95 g/mol |
| LogP | -23.8133 |
| Topological Polar Surface Area | 222.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 11 |
| Exact Mass | 516.94855 |
| Heavy Atoms | 28 |
| Complexity | 468.06436 |
Chemical Identifiers
| CAS Number | 68399-63-3 |
|---|---|
| SMILES | C(CN(CCN(CP(=O)([O-])[O-])CP(=O)([O-])[O-])CP(=O)([O-])[O-])N.[Na+].[Na+].[Na+].[Na+].[Na+].[Na+] |
Product Overview
RefChem:173599 (CAS 68399-63-3), with molecular formula C7H16N3Na6O9P3 and molecular weight 516.95 g/mol. IUPAC: hexasodium;N'-[2-[bis(phosphonatomethyl)amino]ethyl]-N'-(phosphonatomethyl)ethane-1,2-diamine.
Chemical Property Profile of RefChem:173599
Property Insights of RefChem:173599
The XLogP value of -23.8133 indicates that RefChem:173599 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 222.07 Ų indicates high polarity, suggesting RefChem:173599 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:173599 has 1 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:173599?
The CAS number of RefChem:173599 is 68399-63-3.
What is the molecular formula of RefChem:173599?
The molecular formula of RefChem:173599 is C7H16N3Na6O9P3.
What is the molecular weight of RefChem:173599?
The molecular weight of RefChem:173599 is 516.95 g/mol.
Where can I buy RefChem:173599?
You can request a quote for RefChem:173599 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:173599?
Yes, KEHONG BIO provides custom synthesis services for RefChem:173599 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.