O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate
TL;DR: O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate (CAS 4268-84-2) is a chemical compound with molecular formula C15H16NO5PS and molecular weight 353.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethoxy-(4-methoxyphenyl)-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane
Also Known As: O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate, ethoxy-(4-methoxyphenyl)-(4-nitrophenoxy)-sulfanylidene-, ethoxy-(4-methoxyphenyl)-(4-nitrophenoxy)-sulfanylidene-lambda5-p, ETHOXY-(4-METHOXYPHENYL)-(4-NITROPHENOXY)-SULFANYLIDENE-PHOSPHORANE
| Molecular Formula | C15H16NO5PS |
|---|---|
| Molecular Weight | 353.05 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 353.04868 |
| Heavy Atoms | 23 |
| Complexity | 428.0 |
Chemical Identifiers
| CAS Number | 4268-84-2 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=C(C=C1)OC)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | NKVKJONJQDUKFK-UHFFFAOYSA-N |
Product Overview
O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate (CAS 4268-84-2), with molecular formula C15H16NO5PS and molecular weight 353.05 g/mol. IUPAC: ethoxy-(4-methoxyphenyl)-(4-nitrophenoxy)-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate
Property Insights of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate
The XLogP value of 4.4 indicates that O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate. Following Lipinski's Rule of Five, O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate has 0 hydrogen bond donor(s) and 6 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-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate?
The CAS number of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate is 4268-84-2.
What is the molecular formula of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate?
The molecular formula of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate is C15H16NO5PS.
What is the molecular weight of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate?
The molecular weight of O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate is 353.05 g/mol.
Where can I buy O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate?
You can request a quote for O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate 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-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-Ethyl O-(4-nitrophenyl) (4-methoxyphenyl)phosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.