![O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate structure](/static/products/2846/284664-37-5.webp)
O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate
TL;DR: O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate (CAS 284664-37-5) is a chemical compound with molecular formula C17H17F6N2O3PS and molecular weight 474.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate, [2-[3,5-Bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-lambda5-phosphane, [2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-, 2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl ethyl ethoxy(sulfanylidene)phosphonite
| Molecular Formula | C17H17F6N2O3PS |
|---|---|
| Molecular Weight | 474.06 g/mol |
| LogP | 6.16592 |
| Topological Polar Surface Area | 53.47 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 474.06018 |
| Heavy Atoms | 30 |
| Complexity | 909.81635 |
Chemical Identifiers
| CAS Number | 284664-37-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NC(=NC(=C1)C)C2=CC(=CC(=C2)C(F)(F)F)C(F)(F)F |
Product Overview
O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate (CAS 284664-37-5), with molecular formula C17H17F6N2O3PS and molecular weight 474.06 g/mol. IUPAC: [2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate
Property Insights of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate
The XLogP value of 6.16592 indicates that O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.47 Ų, O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate?
The CAS number of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate is 284664-37-5.
What is the molecular formula of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate?
The molecular formula of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate is C17H17F6N2O3PS.
What is the molecular weight of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate?
The molecular weight of O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate is 474.06 g/mol.
Where can I buy O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate?
You can request a quote for O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-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-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate?
Yes, KEHONG BIO provides custom synthesis services for O-{2-[3,5-bis(trifluoromethyl)phenyl]-6-methylpyrimidin-4-yl} O,O-diethyl phosphothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.