Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester
TL;DR: Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester (CAS 4268-95-5) 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-(4-methylphenyl)-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: p-Tolylphosphonothioic acid O-ethyl O-(p-nitrophenyl) ester, Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester, ethoxy-(4-methylphenyl)-(4-nitrophenoxy)-sulfanylidene-, O-Ethyl O-(4-nitrophenyl) (4-methylphenyl)phosphonothioate, ethoxy-(4-methylphenyl)-(4-nitrophenoxy)-sulfanylidene-lambda5-ph
| 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 | 412.0 |
Chemical Identifiers
| CAS Number | 4268-95-5 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=C(C=C1)C)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | CJHOPJDFFAVVIW-UHFFFAOYSA-N |
Product Overview
Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester (CAS 4268-95-5), with molecular formula C15H16NO4PS and molecular weight 337.05 g/mol. IUPAC: ethoxy-(4-methylphenyl)-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester
Property Insights of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester
The XLogP value of 4.8 indicates that Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-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, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester. Following Lipinski's Rule of Five, Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-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
Frequently Asked Questions
What is the CAS number of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester?
The CAS number of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester is 4268-95-5.
What is the molecular formula of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester?
The molecular formula of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester is C15H16NO4PS.
What is the molecular weight of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester?
The molecular weight of Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester is 337.05 g/mol.
Where can I buy Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester?
You can request a quote for Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphonothioic acid, p-tolyl-, O-ethyl O-(p-nitrophenyl) ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.