Chlorpyrifos oxon
TL;DR: Chlorpyrifos oxon (CAS 5598-15-2) is a chemical compound with molecular formula C9H11Cl3NO4P and molecular weight 332.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl (3,5,6-trichloro-2-pyridinyl) phosphate
Also Known As: Chlorpyrifos oxon, CHLORPYRIFOS-OXON, Dursbanoxon, Fospirate-ethyl, Chloropyrifos oxon
| Molecular Formula | C9H11Cl3NO4P |
|---|---|
| Molecular Weight | 332.95 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 57.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 332.94913 |
| Heavy Atoms | 18 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 5598-15-2 |
|---|---|
| SMILES | CCOP(=O)(OCC)OC1=NC(=C(C=C1Cl)Cl)Cl |
| InChIKey | OTMOUPHCTWPNSL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlorpyrifos oxon (CAS 5598-15-2), with molecular formula C9H11Cl3NO4P and molecular weight 332.95 g/mol. IUPAC: diethyl (3,5,6-trichloro-2-pyridinyl) phosphate.
Chemical Property Profile of Chlorpyrifos oxon
Property Insights of Chlorpyrifos oxon
The XLogP value of 3.5 indicates that Chlorpyrifos oxon is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.7 Ų, Chlorpyrifos oxon exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlorpyrifos oxon has 0 hydrogen bond donor(s) and 5 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 Chlorpyrifos oxon?
The CAS number of Chlorpyrifos oxon is 5598-15-2.
What is the molecular formula of Chlorpyrifos oxon?
The molecular formula of Chlorpyrifos oxon is C9H11Cl3NO4P.
What is the molecular weight of Chlorpyrifos oxon?
The molecular weight of Chlorpyrifos oxon is 332.95 g/mol.
Where can I buy Chlorpyrifos oxon?
You can request a quote for Chlorpyrifos oxon directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlorpyrifos oxon?
Yes, KEHONG BIO provides custom synthesis services for Chlorpyrifos oxon and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.