O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate
TL;DR: O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate (CAS 3581-11-1) is a chemical compound with molecular formula C10H12NO4PS and molecular weight 273.02246 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-dimethoxyphosphinothioyloxy-3-methoxybenzonitrile
Also Known As: Stauffer B-11163, TP540, ENT 27,230, O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate, AI3-27230
Application Areas
Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12NO4PS |
| Molecular Weight | 273.02246 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 273.02246 Da |
| Heavy Atoms | 17 |
| Complexity | 334.0 |
| SMILES | COC1=C(C=CC(=C1)C#N)OP(=S)(OC)OC |
| InChIKey | JFEUEPKNHJHJDY-UHFFFAOYSA-N |
Chemical Property Profile of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate
Property Insights of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate. Following Lipinski's Rule of Five, O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate 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
What is the CAS number of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate?
The CAS number of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate is 3581-11-1.
What is the molecular formula of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate?
The molecular formula of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate is C10H12NO4PS.
What is the molecular weight of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate?
The molecular weight of O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate is 273.02246 g/mol.
Where can I buy O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate?
You can request a quote for O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate?
Yes, CoreyChem provides custom synthesis services for O-(4-Cyano-2-methoxyphenyl) O,O-dimethyl phosphorothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.