Diethyl ethynylphosphonate
TL;DR: Diethyl ethynylphosphonate (CAS 4851-51-8) is a chemical compound with molecular formula C6H11O3P and molecular weight 162.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[ethoxy(ethynyl)phosphoryl]oxyethane
Also Known As: diethyl ethynylphosphonate, diethylethynylphosphonate, 1-diethoxyphosphorylethyne, Phosphonic acid, ethynyl-, diethyl ester, 1-[ethoxy(ethynyl)phosphoryl]oxyethane
| Molecular Formula | C6H11O3P |
|---|---|
| Molecular Weight | 162.04 g/mol |
| LogP | 1.8432 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 162.04459 |
| Heavy Atoms | 10 |
| Complexity | 160.32196 |
Chemical Identifiers
| CAS Number | 4851-51-8 |
|---|---|
| SMILES | CCOP(=O)(C#C)OCC |
Product Overview
Diethyl ethynylphosphonate (CAS 4851-51-8), with molecular formula C6H11O3P and molecular weight 162.04 g/mol. IUPAC: 1-[ethoxy(ethynyl)phosphoryl]oxyethane.
Chemical Property Profile of Diethyl ethynylphosphonate
Property Insights of Diethyl ethynylphosphonate
The XLogP value of 1.8432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl ethynylphosphonate. With a topological polar surface area (TPSA) of 35.53 Ų, Diethyl ethynylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl ethynylphosphonate has 0 hydrogen bond donor(s) and 3 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 ethynylphosphonate?
The CAS number of Diethyl ethynylphosphonate is 4851-51-8.
What is the molecular formula of Diethyl ethynylphosphonate?
The molecular formula of Diethyl ethynylphosphonate is C6H11O3P.
What is the molecular weight of Diethyl ethynylphosphonate?
The molecular weight of Diethyl ethynylphosphonate is 162.04 g/mol.
Where can I buy Diethyl ethynylphosphonate?
You can request a quote for Diethyl ethynylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl ethynylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl ethynylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.