Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester
TL;DR: Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester (CAS 3581-13-3) is a chemical compound with molecular formula C12H16NO4PS and molecular weight 301.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-diethoxyphosphinothioyloxy-3-methoxybenzonitrile
Also Known As: O-(4-Cyano-2-methoxyphenyl) O,O-diethyl phosphorothioate, Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester, 4-diethoxyphosphinothioyloxy-3-methoxybenzonitrile, Phosphorothioic acid, O,O-diethyl O-(4-cyano-2-methoxyphenyl) ester, BRN 2758645
| Molecular Formula | C12H16NO4PS |
|---|---|
| Molecular Weight | 301.05 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 92.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 301.05377 |
| Heavy Atoms | 19 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 3581-13-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=C(C=C(C=C1)C#N)OC |
| InChIKey | RPRRMPANCJSDJN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester (CAS 3581-13-3), with molecular formula C12H16NO4PS and molecular weight 301.05 g/mol. IUPAC: 4-diethoxyphosphinothioyloxy-3-methoxybenzonitrile.
Chemical Property Profile of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester
Property Insights of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester
The XLogP value of 3.6 indicates that Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester. Following Lipinski's Rule of Five, Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester 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 Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester?
The CAS number of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester is 3581-13-3.
What is the molecular formula of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester?
The molecular formula of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester is C12H16NO4PS.
What is the molecular weight of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester?
The molecular weight of Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester is 301.05 g/mol.
Where can I buy Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester?
You can request a quote for Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphorothioic acid, O-(4-cyano-2-methoxyphenyl) O,O-diethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.