![4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline structure](/static/products/4000/400007-74-1.webp)
4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline
TL;DR: 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline (CAS 400007-74-1) is a chemical compound with molecular formula C15H13F6N3O2S and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methylsulfanyl]aniline
Also Known As: Peakdale1_001209, 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline, 4-[[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methylsulfanyl]aniline, 4-({[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methyl}sulfanyl)aniline
| Molecular Formula | C15H13F6N3O2S |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 4.2333 |
| Topological Polar Surface Area | 70.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.06326 |
| Heavy Atoms | 27 |
| Complexity | 716.44794 |
Chemical Identifiers
| CAS Number | 400007-74-1 |
|---|---|
| SMILES | C1=CC(=CC=C1N)SCC2=NC(=CC(=N2)OCC(F)(F)F)OCC(F)(F)F |
Product Overview
4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline (CAS 400007-74-1), with molecular formula C15H13F6N3O2S and molecular weight 413.06 g/mol. IUPAC: 4-[[4,6-bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl]methylsulfanyl]aniline.
Chemical Property Profile of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline
Property Insights of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline
The XLogP value of 4.2333 indicates that 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.26 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline. Following Lipinski's Rule of Five, 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline has 1 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-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline?
The CAS number of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline is 400007-74-1.
What is the molecular formula of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline?
The molecular formula of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline is C15H13F6N3O2S.
What is the molecular weight of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline?
The molecular weight of 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline is 413.06 g/mol.
Where can I buy 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline?
You can request a quote for 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline?
Yes, KEHONG BIO provides custom synthesis services for 4-[4,6-Bis(2,2,2-trifluoroethoxy)pyrimidin-2-yl)methylthio]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.