O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate
TL;DR: O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate (CAS 19133-28-9) is a chemical compound with molecular formula C11H13ClNO2PS and molecular weight 289.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[2-chloroethoxy(ethyl)phosphinothioyl]oxybenzonitrile
Also Known As: Monsanto CP-40115, CP 40115, ENT 25,869, AI3-25869, 4-[2-chloroethoxy(ethyl)phosphinothioyl]oxybenzonitrile
| Molecular Formula | C11H13ClNO2PS |
|---|---|
| Molecular Weight | 289.01 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 74.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 289.0093 |
| Heavy Atoms | 17 |
| Complexity | 323.0 |
Chemical Identifiers
| CAS Number | 19133-28-9 |
|---|---|
| SMILES | CCP(=S)(OCCCl)OC1=CC=C(C=C1)C#N |
| InChIKey | VXDNZMSWMZZCTD-UHFFFAOYSA-N |
Product Overview
O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate (CAS 19133-28-9), with molecular formula C11H13ClNO2PS and molecular weight 289.01 g/mol. IUPAC: 4-[2-chloroethoxy(ethyl)phosphinothioyl]oxybenzonitrile.
Chemical Property Profile of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate
Property Insights of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate
The XLogP value of 3.7 indicates that O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate 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-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate. Following Lipinski's Rule of Five, O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate 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-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate?
The CAS number of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate is 19133-28-9.
What is the molecular formula of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate?
The molecular formula of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate is C11H13ClNO2PS.
What is the molecular weight of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate?
The molecular weight of O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate is 289.01 g/mol.
Where can I buy O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate?
You can request a quote for O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate?
Yes, KEHONG BIO provides custom synthesis services for O-(2-Chloroethyl) O-(4-cyanophenyl) ethylphosphonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.