Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate
TL;DR: Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate (CAS 2781-11-5) is a chemical compound with molecular formula C9H22NO5P and molecular weight 255.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol
Also Known As: Fyrol 6, Diethyl bis(2-hydroxyethyl)aminomethylphosphonate, Adeka FC 450, Phosphonic acid, diethyl ester, FC 450
| Molecular Formula | C9H22NO5P |
|---|---|
| Molecular Weight | 255.12 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 79.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 255.12357 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
| Density | Specific gravity: 1.160 at 25 °C/25 °C |
| Solubility | In water, 900 g/L at 25 °C[US EPA; High Production Volume (HPV) Challenge Program. The HPV Voluntary Challenge Chemical List. Robust Summaries and Test Plans. Phosphonic Acid, [ |
| Vapor Pressure | 0.43 [mmHg] |
Chemical Identifiers
| CAS Number | 2781-11-5 |
|---|---|
| SMILES | CCOP(=O)(CN(CCO)CCO)OCC |
| InChIKey | CCJKFLLIJCGHMO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate (CAS 2781-11-5), with molecular formula C9H22NO5P and molecular weight 255.12 g/mol. IUPAC: 2-[diethoxyphosphorylmethyl(2-hydroxyethyl)amino]ethanol.
Chemical Property Profile of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate
Property Insights of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate
The XLogP value of -1.0 indicates that Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate. Following Lipinski's Rule of Five, Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate has 2 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 Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate?
The CAS number of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate is 2781-11-5.
What is the molecular formula of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate?
The molecular formula of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate is C9H22NO5P.
What is the molecular weight of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate?
The molecular weight of Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate is 255.12 g/mol.
Where can I buy Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate?
You can request a quote for Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl P-((bis(2-hydroxyethyl)amino)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.