Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester
TL;DR: Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester (CAS 57856-21-0) is a chemical compound with molecular formula C14H14NO4PS and molecular weight 323.03812 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethoxy-(2-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: AI3-17797, PhenylphosphonothioicacidO- O-ethylester, Phenylphosphonothioic acid O-ethyl O-(2-nitrophenyl) ester, o-ethyl o-(2-nitrophenyl) phenylphosphonothioate, 4-16-00-01089 (Beilstein Handbook Reference)
Technical Specifications
| Molecular Formula | C14H14NO4PS |
| Molecular Weight | 323.03812 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.03812 Da |
| Heavy Atoms | 21 |
| Complexity | 395.0 |
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=CC=CC=C2[N+](=O)[O-] |
| InChIKey | QFIIQNTUZPMZGP-UHFFFAOYSA-N |
Chemical Property Profile of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester
Property Insights of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester
The XLogP value of 4.4 indicates that Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester 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 Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester 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 Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester?
The CAS number of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester is 57856-21-0.
What is the molecular formula of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester?
The molecular formula of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester is C14H14NO4PS.
What is the molecular weight of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester?
The molecular weight of Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester is 323.03812 g/mol.
Where can I buy Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester?
You can request a quote for Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester?
Yes, CoreyChem provides custom synthesis services for Phosphonothioic acid, phenyl-, O-ethyl O-(2-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.