![4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine structure](/static/products/6802/680217-29-2.webp)
4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine
TL;DR: 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine (CAS 680217-29-2) is a chemical compound with molecular formula C14H8Cl2F3N3O2S and molecular weight 408.97 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] 3-(trifluoromethyl)benzoate
Also Known As: 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine, [(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate, 4,6-DICHLORO-2-(METHYLTHIO)-5-[(([3-(TRIFLUOROMETHYL)BENZOYL]OXY)IMINO)METHYL]PYRIMIDINE
| Molecular Formula | C14H8Cl2F3N3O2S |
|---|---|
| Molecular Weight | 408.97 g/mol |
| LogP | 4.715 |
| Topological Polar Surface Area | 64.44 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 408.96664 |
| Heavy Atoms | 25 |
| Complexity | 808.20465 |
Chemical Identifiers
| CAS Number | 680217-29-2 |
|---|---|
| SMILES | CSC1=NC(=C(C(=N1)Cl)C=NOC(=O)C2=CC(=CC=C2)C(F)(F)F)Cl |
Product Overview
4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine (CAS 680217-29-2), with molecular formula C14H8Cl2F3N3O2S and molecular weight 408.97 g/mol. IUPAC: [(4,6-dichloro-2-methylsulfanylpyrimidin-5-yl)methylideneamino] 3-(trifluoromethyl)benzoate.
Chemical Property Profile of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine
Property Insights of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine
The XLogP value of 4.715 indicates that 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine. Following Lipinski's Rule of Five, 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine has 0 hydrogen bond donor(s) and 6 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-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine?
The CAS number of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine is 680217-29-2.
What is the molecular formula of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine?
The molecular formula of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine is C14H8Cl2F3N3O2S.
What is the molecular weight of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine?
The molecular weight of 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine is 408.97 g/mol.
Where can I buy 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine?
You can request a quote for 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]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-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 4,6-dichloro-2-(methylthio)-5-[({[3-(trifluoromethyl)benzoyl]oxy}imino)methyl]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.