Isoxathion
TL;DR: Isoxathion (CAS 18854-01-8) is a chemical compound with molecular formula C13H16NO4PS and molecular weight 313.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane
Also Known As: Karphos, Kalphos, Isoxathion [ISO:BSI], ISOXATHION [ISO], Isoxathion [BSI:JMAF:ISO]
| Molecular Formula | C13H16NO4PS |
|---|---|
| Molecular Weight | 313.05 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.05377 |
| Heavy Atoms | 20 |
| Complexity | 328.0 |
| Boiling Point | 160 °C/0.15 mmHg |
| Solubility | Readily soluble in organic solvents. |
| Vapor Pressure | 0.00000222 [mmHg] |
Chemical Identifiers
| CAS Number | 18854-01-8 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC(=C1)C2=CC=CC=C2 |
| InChIKey | SDMSCIWHRZJSRN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoxathion (CAS 18854-01-8), with molecular formula C13H16NO4PS and molecular weight 313.05 g/mol. IUPAC: diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Isoxathion
Property Insights of Isoxathion
The XLogP value of 4.2 indicates that Isoxathion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Isoxathion. Following Lipinski's Rule of Five, Isoxathion 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 Isoxathion?
The CAS number of Isoxathion is 18854-01-8.
What is the molecular formula of Isoxathion?
The molecular formula of Isoxathion is C13H16NO4PS.
What is the molecular weight of Isoxathion?
The molecular weight of Isoxathion is 313.05 g/mol.
Where can I buy Isoxathion?
You can request a quote for Isoxathion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoxathion?
Yes, KEHONG BIO provides custom synthesis services for Isoxathion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.