O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate
TL;DR: O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate (CAS 18313-91-2) is a chemical compound with molecular formula C11H16NO4PS and molecular weight 289.05377 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethoxy-ethyl-(2-methyl-3-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: Bayer 45556, BAY 45556, ENT 25,826, AI3-25826, o-ethyl o-(2-methyl-3-nitrophenyl) ethylphosphonothioate
Technical Specifications
| Molecular Formula | C11H16NO4PS |
| Molecular Weight | 289.05377 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 289.05377 Da |
| Heavy Atoms | 18 |
| Complexity | 333.0 |
| SMILES | CCOP(=S)(CC)OC1=CC=CC(=C1C)[N+](=O)[O-] |
| InChIKey | QUJSLFBJDWGGJL-UHFFFAOYSA-N |
Chemical Property Profile of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate
Property Insights of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate
The XLogP value of 3.9 indicates that O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate. Following Lipinski's Rule of Five, O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate 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
What is the CAS number of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate?
The CAS number of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate is 18313-91-2.
What is the molecular formula of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate?
The molecular formula of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate is C11H16NO4PS.
What is the molecular weight of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate?
The molecular weight of O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate is 289.05377 g/mol.
Where can I buy O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate?
You can request a quote for O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate?
Yes, CoreyChem provides custom synthesis services for O-Ethyl O-(2-methyl-3-nitrophenyl) ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.