RefChem:138207
TL;DR: RefChem:138207 (CAS 68171-29-9) is a chemical compound with molecular formula C6H18NNaO12P3+ and molecular weight 411.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate
Also Known As: Nitrilotris(ethyl phosphate), sodium salt, Triethanolamine tris(dihydrogen phosphate) sodium salt, 2,2',2''-Nitrilotrisethyl tris(dihydrogen phosphate), sodium salt, Ethanol, 2,2',2''-nitrilotris-, 1,1',1''-tris(dihydrogen phosphate), sodium salt (1:?), Ethanol, 2,2',2''-nitrilotris-, tris(dihydrogen phosphate) (ester), sodium salt
| Molecular Formula | C6H18NNaO12P3+ |
|---|---|
| Molecular Weight | 411.99 g/mol |
| LogP | -4.38 |
| Topological Polar Surface Area | 204.0 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 12 |
| Exact Mass | 411.99396 |
| Heavy Atoms | 23 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 68171-29-9 |
|---|---|
| SMILES | C(COP(=O)(O)O)N(CCOP(=O)(O)O)CCOP(=O)(O)O.[Na+] |
| InChIKey | PKDCIYMJLFIYQY-UHFFFAOYSA-N |
Product Overview
RefChem:138207 (CAS 68171-29-9), with molecular formula C6H18NNaO12P3+ and molecular weight 411.99 g/mol. IUPAC: sodium 2-[bis(2-phosphonooxyethyl)amino]ethyl dihydrogen phosphate.
Chemical Property Profile of RefChem:138207
Property Insights of RefChem:138207
The XLogP value of -4.38 indicates that RefChem:138207 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 204.0 Ų indicates high polarity, suggesting RefChem:138207 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:138207 has 6 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:138207?
The CAS number of RefChem:138207 is 68171-29-9.
What is the molecular formula of RefChem:138207?
The molecular formula of RefChem:138207 is C6H18NNaO12P3+.
What is the molecular weight of RefChem:138207?
The molecular weight of RefChem:138207 is 411.99 g/mol.
Where can I buy RefChem:138207?
You can request a quote for RefChem:138207 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:138207?
Yes, KEHONG BIO provides custom synthesis services for RefChem:138207 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.