O-(4-Cyanophenyl) O-phenyl methylphosphonothioate
TL;DR: O-(4-Cyanophenyl) O-phenyl methylphosphonothioate (CAS 5954-90-5) is a chemical compound with molecular formula C14H12NO2PS and molecular weight 289.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[methyl(phenoxy)phosphinothioyl]oxybenzonitrile
Also Known As: Monsanto CP-40507, O-(4-Cyanophenyl) O-phenyl methylphosphonothioate, MethylphosphonothioicacidO- O-phenylester, 4-[methyl(phenoxy)phosphinothioyl]oxybenzonitrile, O-4-cyanophenyl O-phenyl methylphosphonothioate
| Molecular Formula | C14H12NO2PS |
|---|---|
| Molecular Weight | 289.03 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.03262 |
| Heavy Atoms | 19 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 5954-90-5 |
|---|---|
| SMILES | CP(=S)(OC1=CC=CC=C1)OC2=CC=C(C=C2)C#N |
| InChIKey | WVLHBTMVPFIQTG-UHFFFAOYSA-N |
Product Overview
O-(4-Cyanophenyl) O-phenyl methylphosphonothioate (CAS 5954-90-5), with molecular formula C14H12NO2PS and molecular weight 289.03 g/mol. IUPAC: 4-[methyl(phenoxy)phosphinothioyl]oxybenzonitrile.
Chemical Property Profile of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate
Property Insights of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate
The XLogP value of 4.5 indicates that O-(4-Cyanophenyl) O-phenyl methylphosphonothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.3 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-Cyanophenyl) O-phenyl methylphosphonothioate. Following Lipinski's Rule of Five, O-(4-Cyanophenyl) O-phenyl methylphosphonothioate has 0 hydrogen bond donor(s) and 4 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-(4-Cyanophenyl) O-phenyl methylphosphonothioate?
The CAS number of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate is 5954-90-5.
What is the molecular formula of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate?
The molecular formula of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate is C14H12NO2PS.
What is the molecular weight of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate?
The molecular weight of O-(4-Cyanophenyl) O-phenyl methylphosphonothioate is 289.03 g/mol.
Where can I buy O-(4-Cyanophenyl) O-phenyl methylphosphonothioate?
You can request a quote for O-(4-Cyanophenyl) O-phenyl methylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(4-Cyanophenyl) O-phenyl methylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(4-Cyanophenyl) O-phenyl methylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.