O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate
TL;DR: O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate (CAS 3563-52-8) is a chemical compound with molecular formula C10H13ClNO4PS and molecular weight 309.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenoxy)-ethoxy-ethyl-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-2230, ENT 25,754, AI3-25754, N 2230, EthylphosphonothioicacidO- O-ethylester
| Molecular Formula | C10H13ClNO4PS |
|---|---|
| Molecular Weight | 309.00 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 308.99915 |
| Heavy Atoms | 18 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 3563-52-8 |
|---|---|
| SMILES | CCOP(=S)(CC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | KOYZGOINJGYTFY-UHFFFAOYSA-N |
Product Overview
O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate (CAS 3563-52-8), with molecular formula C10H13ClNO4PS and molecular weight 309.00 g/mol. IUPAC: (2-chloro-4-nitrophenoxy)-ethoxy-ethyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate
Property Insights of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate
The XLogP value of 3.8 indicates that O-(2-Chloro-4-nitrophenyl) O-ethyl 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-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate. Following Lipinski's Rule of Five, O-(2-Chloro-4-nitrophenyl) O-ethyl 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
Frequently Asked Questions
What is the CAS number of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate?
The CAS number of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate is 3563-52-8.
What is the molecular formula of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate?
The molecular formula of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate is C10H13ClNO4PS.
What is the molecular weight of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate?
The molecular weight of O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate is 309.00 g/mol.
Where can I buy O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate?
You can request a quote for O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Chloro-4-nitrophenyl) O-ethyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.