O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate
TL;DR: O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate (CAS 57864-30-9) is a chemical compound with molecular formula C13H13ClNO2PS and molecular weight 313.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6-chloro-2-pyridinyl)oxy-ethoxy-phenyl-sulfanylidene-λ5-phosphane
Also Known As: O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate, o-(6-chloropyridin-2-yl) o-ethyl phenylphosphonothioate, (6-chloropyridin-2-yl)oxy-ethoxy-phenyl-sulfanylidene-, O-6-CHLOROPYRIDIN-2-YL O-ETHYL PHENYLPHOSPHONOTHIOATE, E5-phosphane
| Molecular Formula | C13H13ClNO2PS |
|---|---|
| Molecular Weight | 313.01 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 63.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 313.0093 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 57864-30-9 |
|---|---|
| SMILES | CCOP(=S)(C1=CC=CC=C1)OC2=NC(=CC=C2)Cl |
| InChIKey | ZTCNLQLNDPGADB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate (CAS 57864-30-9), with molecular formula C13H13ClNO2PS and molecular weight 313.01 g/mol. IUPAC: (6-chloro-2-pyridinyl)oxy-ethoxy-phenyl-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate
Property Insights of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate
The XLogP value of 5.2 indicates that O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.4 Ų falls within the moderate polarity range, balancing permeability and solubility for O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate. Following Lipinski's Rule of Five, O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate?
The CAS number of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate is 57864-30-9.
What is the molecular formula of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate?
The molecular formula of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate is C13H13ClNO2PS.
What is the molecular weight of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate?
The molecular weight of O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate is 313.01 g/mol.
Where can I buy O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate?
You can request a quote for O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate?
Yes, KEHONG BIO provides custom synthesis services for O-(6-Chloropyridin-2-yl) O-ethyl phenylthiophosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.