Allyl P,P-diethylphosphonoacetate
TL;DR: Allyl P,P-diethylphosphonoacetate (CAS 113187-28-3) is a chemical compound with molecular formula C9H17O5P and molecular weight 236.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 2-diethoxyphosphorylacetate
Also Known As: Allyl P,P-diethylphosphonoacetate, allyl diethylphosphonoacetate, Prop-2-enyl 2-diethoxyphosphorylacetate, Allyl 2-(diethoxyphosphoryl)acetate, allyldiethylphosphonoacetate
| Molecular Formula | C9H17O5P |
|---|---|
| Molecular Weight | 236.08 g/mol |
| LogP | 1.9817 |
| Topological Polar Surface Area | 61.83 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 236.08136 |
| Heavy Atoms | 15 |
| Complexity | 240.88725 |
Chemical Identifiers
| CAS Number | 113187-28-3 |
|---|---|
| SMILES | CCOP(=O)(CC(=O)OCC=C)OCC |
Product Overview
Allyl P,P-diethylphosphonoacetate (CAS 113187-28-3), with molecular formula C9H17O5P and molecular weight 236.08 g/mol. IUPAC: prop-2-enyl 2-diethoxyphosphorylacetate.
Chemical Property Profile of Allyl P,P-diethylphosphonoacetate
Property Insights of Allyl P,P-diethylphosphonoacetate
The XLogP value of 1.9817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Allyl P,P-diethylphosphonoacetate. The TPSA of 61.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Allyl P,P-diethylphosphonoacetate. Following Lipinski's Rule of Five, Allyl P,P-diethylphosphonoacetate has 0 hydrogen bond donor(s) and 5 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 Allyl P,P-diethylphosphonoacetate?
The CAS number of Allyl P,P-diethylphosphonoacetate is 113187-28-3.
What is the molecular formula of Allyl P,P-diethylphosphonoacetate?
The molecular formula of Allyl P,P-diethylphosphonoacetate is C9H17O5P.
What is the molecular weight of Allyl P,P-diethylphosphonoacetate?
The molecular weight of Allyl P,P-diethylphosphonoacetate is 236.08 g/mol.
Where can I buy Allyl P,P-diethylphosphonoacetate?
You can request a quote for Allyl P,P-diethylphosphonoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Allyl P,P-diethylphosphonoacetate?
Yes, KEHONG BIO provides custom synthesis services for Allyl P,P-diethylphosphonoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.