Diethyl isopropenylphosphonate
TL;DR: Diethyl isopropenylphosphonate (CAS 20170-34-7) is a chemical compound with molecular formula C7H15O3P and molecular weight 178.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphorylprop-1-ene
Also Known As: Diethyl isopropenylphosphonate, 2-diethoxyphosphorylprop-1-ene, Diethyl propylene phosphonate, Diethyl propylenephosphonate, diethyl isopropenyl-phosphonate
| Molecular Formula | C7H15O3P |
|---|---|
| Molecular Weight | 178.08 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 178.07588 |
| Heavy Atoms | 11 |
| Complexity | 167.0 |
Chemical Identifiers
| CAS Number | 20170-34-7 |
|---|---|
| SMILES | CCOP(=O)(C(=C)C)OCC |
| InChIKey | ZUUVSPXGBMKSJV-UHFFFAOYSA-N |
Product Overview
Diethyl isopropenylphosphonate (CAS 20170-34-7), with molecular formula C7H15O3P and molecular weight 178.08 g/mol. IUPAC: 2-diethoxyphosphorylprop-1-ene.
Chemical Property Profile of Diethyl isopropenylphosphonate
Property Insights of Diethyl isopropenylphosphonate
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl isopropenylphosphonate. With a topological polar surface area (TPSA) of 35.5 Ų, Diethyl isopropenylphosphonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl isopropenylphosphonate 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 isopropenylphosphonate?
The CAS number of Diethyl isopropenylphosphonate is 20170-34-7.
What is the molecular formula of Diethyl isopropenylphosphonate?
The molecular formula of Diethyl isopropenylphosphonate is C7H15O3P.
What is the molecular weight of Diethyl isopropenylphosphonate?
The molecular weight of Diethyl isopropenylphosphonate is 178.08 g/mol.
Where can I buy Diethyl isopropenylphosphonate?
You can request a quote for Diethyl isopropenylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl isopropenylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl isopropenylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.