賽達松
TL;DR: 賽達松 (CAS 2597-03-7) is a chemical compound with molecular formula C12H17O4PS2 and molecular weight 320.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
賽達松
ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate
Also Known As: Fenthoate, Dimephenthioate, Dimephenthoate, Phendal, Papthion
| Molecular Formula | C12H17O4PS2 |
|---|---|
| Molecular Weight | 320.03 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.03058 |
| Heavy Atoms | 19 |
| Complexity | 324.0 |
| Melting Point | 17 TO 18 °C |
| Boiling Point | 70-80 °C at 2-5X10-5 mm Hg |
| Density | 1.226 @ 20 °C |
| Solubility | REDDISH-YELLOW OIL; SOLUBILITY: IN WATER @ 20 °C= 200 MG/L (TECHNICAL GRADE); IN HEXANE @ 20 °C= 120 G/L; GREATER THAN 200 G/L IN 1,2-DIMETHOXYETHANE, 20 °C (PURE); IN PETROLEUM SPIRIT @ 20 °C= 100-170 G/L /TECHNICAL/ |
| Flash Point | 165-170 °C |
| Vapor Pressure | 0.0000026 [mmHg] |
| Refractive Index | 1.5550 @ 20 °C |
Chemical Identifiers
| CAS Number | 2597-03-7 |
|---|---|
| SMILES | CCOC(=O)C(C1=CC=CC=C1)SP(=S)(OC)OC |
| InChIKey | XAMUDJHXFNRLCY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
賽達松 (CAS 2597-03-7), with molecular formula C12H17O4PS2 and molecular weight 320.03 g/mol. IUPAC: ethyl 2-dimethoxyphosphinothioylsulfanyl-2-phenylacetate.
Chemical Property Profile of 賽達松
Property Insights of 賽達松
The XLogP value of 3.7 indicates that 賽達松 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 賽達松. Following Lipinski's Rule of Five, 賽達松 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 賽達松?
The CAS number of 賽達松 is 2597-03-7.
What is the molecular formula of 賽達松?
The molecular formula of 賽達松 is C12H17O4PS2.
What is the molecular weight of 賽達松?
The molecular weight of 賽達松 is 320.03 g/mol.
Where can I buy 賽達松?
You can request a quote for 賽達松 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 賽達松?
Yes, KEHONG BIO provides custom synthesis services for 賽達松 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.