O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate
TL;DR: O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate (CAS 898-77-1) is a chemical compound with molecular formula C15H16NO4PS and molecular weight 337.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-(3-methyl-4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane
Also Known As: o-ethyl o-(3-methyl-4-nitrophenyl) phenylphosphonothioate, Phenylphosphonothioic acid O-ethyl O-(4-nitro-m-tolyl) ester, Phosphonothioic acid, phenyl-, O-ethyl O-(4-nitro-m-tolyl) ester, ethoxy-(3-methyl-4-nitrophenoxy)-phenyl-sulfanylidene-, O-Aethyl-O-<4-nitro-3-methyl-phenyl>-phenylthiophosphonsaeure
| Molecular Formula | C15H16NO4PS |
|---|---|
| Molecular Weight | 337.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 96.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 337.05377 |
| Heavy Atoms | 22 |
| Complexity | 422.0 |
Chemical Identifiers
| CAS Number | 898-77-1 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=CC(=C(C=C2)[N+](=O)[O-])C |
| InChIKey | VFPPCHOMKLARRT-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate (CAS 898-77-1), with molecular formula C15H16NO4PS and molecular weight 337.05 g/mol. IUPAC: ethoxy-(3-methyl-4-nitrophenoxy)-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate
Property Insights of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate
The XLogP value of 4.8 indicates that O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate 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-(3-methyl-4-nitrophenyl) phenylphosphonothioate. Following Lipinski's Rule of Five, O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate 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-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate?
The CAS number of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate is 898-77-1.
What is the molecular formula of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate?
The molecular formula of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate is C15H16NO4PS.
What is the molecular weight of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate?
The molecular weight of O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate is 337.05 g/mol.
Where can I buy O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate?
You can request a quote for O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-(3-methyl-4-nitrophenyl) phenylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.