Diethyl 2-(4-pyridyl)ethylphosphonate
TL;DR: Diethyl 2-(4-pyridyl)ethylphosphonate (CAS 66934-89-2) is a chemical compound with molecular formula C11H18NO3P and molecular weight 243.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-diethoxyphosphorylethyl)pyridine
Also Known As: Diethyl 2-(4-pyridinyl)ethylphosphonate, 4-(2-diethoxyphosphorylethyl)pyridine, Diethyl 2-(4-pyridyl)ethylphosphonate, Diethyl 2-(4-pyridinyl)ethylphosphonate #, Phosphonic acid, [2-(4-pyridinyl)ethyl]-, diethyl ester
| Molecular Formula | C11H18NO3P |
|---|---|
| Molecular Weight | 243.10 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 243.10243 |
| Heavy Atoms | 16 |
| Complexity | 219.0 |
Chemical Identifiers
| CAS Number | 66934-89-2 |
|---|---|
| SMILES | CCOP(=O)(CCC1=CC=NC=C1)OCC |
| InChIKey | QNFZWFNFBLKDLM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 2-(4-pyridyl)ethylphosphonate (CAS 66934-89-2), with molecular formula C11H18NO3P and molecular weight 243.10 g/mol. IUPAC: 4-(2-diethoxyphosphorylethyl)pyridine.
Chemical Property Profile of Diethyl 2-(4-pyridyl)ethylphosphonate
Property Insights of Diethyl 2-(4-pyridyl)ethylphosphonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(4-pyridyl)ethylphosphonate. With a topological polar surface area (TPSA) of 48.4 Ų, Diethyl 2-(4-pyridyl)ethylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 2-(4-pyridyl)ethylphosphonate has 0 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-(4-pyridyl)ethylphosphonate?
The CAS number of Diethyl 2-(4-pyridyl)ethylphosphonate is 66934-89-2.
What is the molecular formula of Diethyl 2-(4-pyridyl)ethylphosphonate?
The molecular formula of Diethyl 2-(4-pyridyl)ethylphosphonate is C11H18NO3P.
What is the molecular weight of Diethyl 2-(4-pyridyl)ethylphosphonate?
The molecular weight of Diethyl 2-(4-pyridyl)ethylphosphonate is 243.10 g/mol.
Where can I buy Diethyl 2-(4-pyridyl)ethylphosphonate?
You can request a quote for Diethyl 2-(4-pyridyl)ethylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(4-pyridyl)ethylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(4-pyridyl)ethylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.