![O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate structure](/static/products/6802/680216-32-4.webp)
O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate
TL;DR: O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate (CAS 680216-32-4) is a chemical compound with molecular formula C14H14F3N2O3PS and molecular weight 378.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethoxy-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane
Also Known As: O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate, O,O-Dimethyl O-(6-methyl-2-(4-(trifluoromethyl)phenyl)-4-pyrimidinyl) thiophosphate, dimethoxy-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-lambda5-phosphane, dimethoxy-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-, O,O-Dimethyl o-(6-methyl-2-[4-(trifluoromethyl)phenyl]-4-pyrimidinyl) thiophosphate #
| Molecular Formula | C14H14F3N2O3PS |
|---|---|
| Molecular Weight | 378.04 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 5 |
| Exact Mass | 378.04147 |
| Heavy Atoms | 24 |
| Complexity | 453.0 |
Chemical Identifiers
| CAS Number | 680216-32-4 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)C2=CC=C(C=C2)C(F)(F)F)OP(=S)(OC)OC |
| InChIKey | HKNHSGQHPPRVHS-UHFFFAOYSA-N |
Product Overview
O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate (CAS 680216-32-4), with molecular formula C14H14F3N2O3PS and molecular weight 378.04 g/mol. IUPAC: dimethoxy-[6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]oxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate
Property Insights of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate
The XLogP value of 4.6 indicates that O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate. Following Lipinski's Rule of Five, O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate has 0 hydrogen bond donor(s) and 9 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 O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate?
The CAS number of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate is 680216-32-4.
What is the molecular formula of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate?
The molecular formula of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate is C14H14F3N2O3PS.
What is the molecular weight of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate?
The molecular weight of O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate is 378.04 g/mol.
Where can I buy O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate?
You can request a quote for O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate?
Yes, KEHONG BIO provides custom synthesis services for O,O-dimethyl O-{6-methyl-2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl} phosphothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.