![1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one structure](/static/products/2638/263897-34-3.webp)
1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one
TL;DR: 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one (CAS 263897-34-3) is a chemical compound with molecular formula C22H18F5N2O5PS2 and molecular weight 580.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,4-difluorophenyl)-2-[4-dimethoxyphosphinothioyloxy-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]sulfanylethanone
Also Known As: 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one, 1-(3,4-Difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy], 1-(3,4-difluorophenyl)-2-[4-dimethoxyphosphinothioyloxy-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]sulfanylethanone, 2-{[2-(3,4-difluorophenyl)-2-oxoethyl]sulfanyl}-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-4-yl methyl methoxy(sulfanylidene)phosphonite, O-(2-((2-(3,4-Difluorophenyl)-2-oxoethyl)thio)-6-methyl-5-(3-(trifluoromethyl)phenoxy)pyrimidin-4-yl) O,O-dimethyl phosphorothioate
| Molecular Formula | C22H18F5N2O5PS2 |
|---|---|
| Molecular Weight | 580.03 g/mol |
| LogP | 6.74542 |
| Topological Polar Surface Area | 79.77 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 580.0315 |
| Heavy Atoms | 37 |
| Complexity | 1351.522 |
Chemical Identifiers
| CAS Number | 263897-34-3 |
|---|---|
| SMILES | CC1=C(C(=NC(=N1)SCC(=O)C2=CC(=C(C=C2)F)F)OP(=S)(OC)OC)OC3=CC=CC(=C3)C(F)(F)F |
Product Overview
1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one (CAS 263897-34-3), with molecular formula C22H18F5N2O5PS2 and molecular weight 580.03 g/mol. IUPAC: 1-(3,4-difluorophenyl)-2-[4-dimethoxyphosphinothioyloxy-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl]sulfanylethanone.
Chemical Property Profile of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one
Property Insights of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one
The XLogP value of 6.74542 indicates that 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.77 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one. Following Lipinski's Rule of Five, 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one?
The CAS number of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one is 263897-34-3.
What is the molecular formula of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one?
The molecular formula of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one is C22H18F5N2O5PS2.
What is the molecular weight of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one?
The molecular weight of 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one is 580.03 g/mol.
Where can I buy 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one?
You can request a quote for 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,4-difluorophenyl)-2-({4-[(dimethoxyphosphorothioyl)oxy]-6-methyl-5-[3-(trifluoromethyl)phenoxy]pyrimidin-2-yl}thio)ethan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.