Diethyl phosphonomethanol
TL;DR: Diethyl phosphonomethanol (CAS 3084-40-0) is a chemical compound with molecular formula C5H13O4P and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxyphosphorylmethanol
Also Known As: Diethyl (hydroxymethyl)phosphonate, Diethyl hydroxymethylphosphonate, diethoxyphosphorylmethanol, null, Diethyl phosphonomethanol
| Molecular Formula | C5H13O4P |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.05515 |
| Heavy Atoms | 10 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 3084-40-0 |
|---|---|
| SMILES | CCOP(=O)(CO)OCC |
| InChIKey | RWIGWWBLTJLKMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl phosphonomethanol (CAS 3084-40-0), with molecular formula C5H13O4P and molecular weight 168.06 g/mol. IUPAC: diethoxyphosphorylmethanol.
Chemical Property Profile of Diethyl phosphonomethanol
Property Insights of Diethyl phosphonomethanol
The XLogP value of -0.4 indicates that Diethyl phosphonomethanol 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 phosphonomethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl phosphonomethanol 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 phosphonomethanol?
The CAS number of Diethyl phosphonomethanol is 3084-40-0.
What is the molecular formula of Diethyl phosphonomethanol?
The molecular formula of Diethyl phosphonomethanol is C5H13O4P.
What is the molecular weight of Diethyl phosphonomethanol?
The molecular weight of Diethyl phosphonomethanol is 168.06 g/mol.
Where can I buy Diethyl phosphonomethanol?
You can request a quote for Diethyl phosphonomethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl phosphonomethanol?
Yes, KEHONG BIO provides custom synthesis services for Diethyl phosphonomethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.