Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate
TL;DR: Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate (CAS 3690-28-6) is a chemical compound with molecular formula C12H17O5PS and molecular weight 304.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetate
Also Known As: Phenthoate oxon, phenthoateoxon, Fenthoate oxon, ethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetate, 4-10-00-00586 (Beilstein Handbook Reference)
| Molecular Formula | C12H17O5PS |
|---|---|
| Molecular Weight | 304.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 87.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 304.05344 |
| Heavy Atoms | 19 |
| Complexity | 322.0 |
Chemical Identifiers
| CAS Number | 3690-28-6 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SP(=O)(OC)OC |
| InChIKey | BPHVILLCQZUQEX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate (CAS 3690-28-6), with molecular formula C12H17O5PS and molecular weight 304.05 g/mol. IUPAC: ethyl 2-dimethoxyphosphorylsulfanyl-2-phenylacetate.
Chemical Property Profile of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate
Property Insights of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate. The TPSA of 87.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate. Following Lipinski's Rule of Five, Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate has 0 hydrogen bond donor(s) and 6 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 Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate?
The CAS number of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate is 3690-28-6.
What is the molecular formula of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate?
The molecular formula of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate is C12H17O5PS.
What is the molecular weight of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate?
The molecular weight of Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate is 304.05 g/mol.
Where can I buy Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate?
You can request a quote for Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-((dimethoxyphosphinyl)thio)benzeneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.