Phosalone
TL;DR: Phosalone (CAS 2310-17-0) is a chemical compound with molecular formula C12H15ClNO4PS2 and molecular weight 366.98688 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Also Known As: phosalone, Zolone, Phosalon, Azofene, Rubitox
Application Areas
Top 5 of 21 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H15ClNO4PS2 |
| Molecular Weight | 366.98688 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 105.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 366.98688 Da |
| Heavy Atoms | 21 |
| Complexity | 418.0 |
| Melting Point | 47.5-48 °C |
| Density | 1.338 g/mL at 20 °C |
| Flash Point | 100 °C c.c. |
| Vapor Pressure | 0.00000005 [mmHg] |
| Solubility | Sol in ketones, alcohols and most aromatic solvents; practically insol in aliphatic hydrocarbons |
| SMILES | CCOP(=S)(OCC)SCN1C2=C(C=C(C=C2)Cl)OC1=O |
| InChIKey | IOUNQDKNJZEDEP-UHFFFAOYSA-N |
Product Description
Applications: Phosalone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phosalone (CAS 2310-17-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A heterocyclic building block supplied by CoreyChem, Phosalone (CAS 2310-17-0) has the molecular formula C12H15ClNO4PS2 and a molecular weight of 366.99 g/mol. Reported properties include a density of 1.338 g/mL at 20 °C g/cm³, a solubility: Sol in ketones, alcohols and most aromatic solvents; practically insol in aliphatic hydrocarbons. It is also known as phosalone and Zolone.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Phosalone
Property Insights of Phosalone
The XLogP value of 4.4 indicates that Phosalone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosalone. Following Lipinski's Rule of Five, Phosalone 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
What is the CAS number of Phosalone?
The CAS number of Phosalone is 2310-17-0.
What is the molecular formula of Phosalone?
The molecular formula of Phosalone is C12H15ClNO4PS2.
What is the molecular weight of Phosalone?
The molecular weight of Phosalone is 366.98688 g/mol.
What are the applications of Phosalone?
Phosalone is used in heterocycle construction in medicinal chemistry and agrochemical discovery, as well as agrochemical development, including crop protection agent synthesis. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Phosalone (CAS 2310-17-0)...
Where can I buy Phosalone?
You can request a quote for Phosalone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Phosalone?
Yes, CoreyChem provides custom synthesis services for Phosalone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.