O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate
TL;DR: O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate (CAS 2917-21-7) is a chemical compound with molecular formula C9H11ClNO4PS and molecular weight 294.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-chloro-4-nitrophenoxy)-ethyl-methoxy-sulfanylidene-λ5-phosphane
Also Known As: Stauffer N-2310, O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate, (2-chloro-4-nitrophenoxy)-ethyl-methoxy-sulfanylidene-, O-(2-Chloro-4-nitrophenyl)O-methyl=ethylphosphonothioate, O-2-chloro-4-nitrophenyl O-methyl ethylphosphonothioate
| Molecular Formula | C9H11ClNO4PS |
|---|---|
| Molecular Weight | 294.98 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 294.9835 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 2917-21-7 |
|---|---|
| SMILES | CCP(=S)(OC)OC1=C(C=C(C=C1)[N+](=O)[O-])Cl |
| InChIKey | GBSHLOCYYUYGCZ-UHFFFAOYSA-N |
Product Overview
O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate (CAS 2917-21-7), with molecular formula C9H11ClNO4PS and molecular weight 294.98 g/mol. IUPAC: (2-chloro-4-nitrophenoxy)-ethyl-methoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate
Property Insights of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate
The XLogP value of 3.9 indicates that O-(2-Chloro-4-nitrophenyl) O-methyl 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-methyl ethylphosphonothioate. Following Lipinski's Rule of Five, O-(2-Chloro-4-nitrophenyl) O-methyl 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-methyl ethylphosphonothioate?
The CAS number of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate is 2917-21-7.
What is the molecular formula of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate?
The molecular formula of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate is C9H11ClNO4PS.
What is the molecular weight of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate?
The molecular weight of O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate is 294.98 g/mol.
Where can I buy O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate?
You can request a quote for O-(2-Chloro-4-nitrophenyl) O-methyl 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-methyl ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Chloro-4-nitrophenyl) O-methyl ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.