![4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine structure](/static/products/6802/680217-34-9.webp)
4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine
TL;DR: 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine (CAS 680217-34-9) is a chemical compound with molecular formula C14H9Cl2F3N4O3S and molecular weight 439.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
Also Known As: 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine, [(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate
| Molecular Formula | C14H9Cl2F3N4O3S |
|---|---|
| Molecular Weight | 439.97 g/mol |
| LogP | 4.9865 |
| Topological Polar Surface Area | 85.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.97244 |
| Heavy Atoms | 27 |
| Complexity | 827.4866 |
Chemical Identifiers
| CAS Number | 680217-34-9 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C=NOC(=O)NC2=CC=C(C=C2)OC(F)(F)F)Cl |
Product Overview
4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine (CAS 680217-34-9), with molecular formula C14H9Cl2F3N4O3S and molecular weight 439.97 g/mol. IUPAC: [(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methylideneamino] N-[4-(trifluoromethoxy)phenyl]carbamate.
Chemical Property Profile of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine
Property Insights of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine
The XLogP value of 4.9865 indicates that 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine. Following Lipinski's Rule of Five, 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine has 1 hydrogen bond donor(s) and 7 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 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine?
The CAS number of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine is 680217-34-9.
What is the molecular formula of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine?
The molecular formula of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine is C14H9Cl2F3N4O3S.
What is the molecular weight of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine?
The molecular weight of 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine is 439.97 g/mol.
Where can I buy 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine?
You can request a quote for 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-2-(methylthio)-5-{[({[4-(trifluoromethoxy)anilino]carbonyl}oxy)imino]methyl}pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.