Diethyl (2-hydroxyethyl)phosphonate
TL;DR: Diethyl (2-hydroxyethyl)phosphonate (CAS 39997-40-5) is a chemical compound with molecular formula C6H15O4P and molecular weight 182.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylethanol
Also Known As: 2-diethoxyphosphorylethanol, Diethyl (2-hydroxyethyl)phosphonate, diethyl 2-hydroxyethylphosphonate, Diethyl(2-hydroxyethyl)phosphonate, diethyl-(hydroxyethyl)-phosphonate
| Molecular Formula | C6H15O4P |
|---|---|
| Molecular Weight | 182.07 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 182.0708 |
| Heavy Atoms | 11 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 39997-40-5 |
|---|---|
| SMILES | CCOP(=O)(CCO)OCC |
| InChIKey | KXXHZVHYFQSELL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl (2-hydroxyethyl)phosphonate (CAS 39997-40-5), with molecular formula C6H15O4P and molecular weight 182.07 g/mol. IUPAC: 2-diethoxyphosphorylethanol.
Chemical Property Profile of Diethyl (2-hydroxyethyl)phosphonate
Property Insights of Diethyl (2-hydroxyethyl)phosphonate
The XLogP value of -0.5 indicates that Diethyl (2-hydroxyethyl)phosphonate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 55.8 Ų, Diethyl (2-hydroxyethyl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (2-hydroxyethyl)phosphonate has 1 hydrogen bond donor(s) and 4 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 (2-hydroxyethyl)phosphonate?
The CAS number of Diethyl (2-hydroxyethyl)phosphonate is 39997-40-5.
What is the molecular formula of Diethyl (2-hydroxyethyl)phosphonate?
The molecular formula of Diethyl (2-hydroxyethyl)phosphonate is C6H15O4P.
What is the molecular weight of Diethyl (2-hydroxyethyl)phosphonate?
The molecular weight of Diethyl (2-hydroxyethyl)phosphonate is 182.07 g/mol.
Where can I buy Diethyl (2-hydroxyethyl)phosphonate?
You can request a quote for Diethyl (2-hydroxyethyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (2-hydroxyethyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (2-hydroxyethyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.