![O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate structure](/static/products/6497/649700-10-7.webp)
O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate
TL;DR: O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate (CAS 649700-10-7) is a chemical compound with molecular formula C20H19Cl2FN3O3PS2 and molecular weight 533.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate, [4-[(2-Chloro-6-fluorophenyl)methylsulfanyl]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane, O-[4-[(2-Chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioat, [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]oxy-diethoxy-sulfanylidene-, 4-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-6-(4-chlorophenyl)-1,3,5-triazin-2-yl ethyl ethoxy(sulfanylidene)phosphonite
| Molecular Formula | C20H19Cl2FN3O3PS2 |
|---|---|
| Molecular Weight | 533.00 g/mol |
| LogP | 6.9531 |
| Topological Polar Surface Area | 66.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 532.99664 |
| Heavy Atoms | 32 |
| Complexity | 1095.4941 |
Chemical Identifiers
| CAS Number | 649700-10-7 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NC(=NC(=N1)C2=CC=C(C=C2)Cl)SCC3=C(C=CC=C3Cl)F |
Product Overview
O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate (CAS 649700-10-7), with molecular formula C20H19Cl2FN3O3PS2 and molecular weight 533.00 g/mol. IUPAC: [4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate
Property Insights of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate
The XLogP value of 6.9531 indicates that O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.36 Ų falls within the moderate polarity range, balancing permeability and solubility for O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate. Following Lipinski's Rule of Five, O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate?
The CAS number of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate is 649700-10-7.
What is the molecular formula of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate?
The molecular formula of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate is C20H19Cl2FN3O3PS2.
What is the molecular weight of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate?
The molecular weight of O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate is 533.00 g/mol.
Where can I buy O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate?
You can request a quote for O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate?
Yes, KEHONG BIO provides custom synthesis services for O-[4-[(2-chloro-6-fluorobenzyl)thio]-6-(4-chlorophenyl)-1,3,5-triazin-2-yl]O,O-diethyl phosphothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.