Diethyl (prop-1-yn-1-yl)phosphonate
TL;DR: Diethyl (prop-1-yn-1-yl)phosphonate (CAS 1067-88-5) is a chemical compound with molecular formula C7H13O3P and molecular weight 176.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-diethoxyphosphorylprop-1-yne
Also Known As: diethyl (prop-1-yn-1-yl)phosphonate, 1-diethoxyphosphorylprop-1-yne, diethyl prop-1-yn-1-ylphosphonate, diethyl phosphorylpropyne, 1-Propinphosphonsaure-diethylester
| Molecular Formula | C7H13O3P |
|---|---|
| Molecular Weight | 176.06 g/mol |
| LogP | 2.2333 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 176.06023 |
| Heavy Atoms | 11 |
| Complexity | 191.46657 |
Chemical Identifiers
| CAS Number | 1067-88-5 |
|---|---|
| SMILES | CCOP(=O)(C#CC)OCC |
Product Overview
Diethyl (prop-1-yn-1-yl)phosphonate (CAS 1067-88-5), with molecular formula C7H13O3P and molecular weight 176.06 g/mol. IUPAC: 1-diethoxyphosphorylprop-1-yne.
Chemical Property Profile of Diethyl (prop-1-yn-1-yl)phosphonate
Property Insights of Diethyl (prop-1-yn-1-yl)phosphonate
The XLogP value of 2.2333 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl (prop-1-yn-1-yl)phosphonate. With a topological polar surface area (TPSA) of 35.53 Ų, Diethyl (prop-1-yn-1-yl)phosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl (prop-1-yn-1-yl)phosphonate 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 (prop-1-yn-1-yl)phosphonate?
The CAS number of Diethyl (prop-1-yn-1-yl)phosphonate is 1067-88-5.
What is the molecular formula of Diethyl (prop-1-yn-1-yl)phosphonate?
The molecular formula of Diethyl (prop-1-yn-1-yl)phosphonate is C7H13O3P.
What is the molecular weight of Diethyl (prop-1-yn-1-yl)phosphonate?
The molecular weight of Diethyl (prop-1-yn-1-yl)phosphonate is 176.06 g/mol.
Where can I buy Diethyl (prop-1-yn-1-yl)phosphonate?
You can request a quote for Diethyl (prop-1-yn-1-yl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl (prop-1-yn-1-yl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl (prop-1-yn-1-yl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.