![4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine structure](/static/products/3390/339011-22-2.webp)
4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine
TL;DR: 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine (CAS 339011-22-2) is a chemical compound with molecular formula C18H22F3N3S and molecular weight 369.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-tert-butylphenyl)methylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
Also Known As: Bionet1_000738, 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine, 7G-361S, 4-[(4-tert-butylphenyl)methylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine, 4-{[(4-tert-butylphenyl)methyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
| Molecular Formula | C18H22F3N3S |
|---|---|
| Molecular Weight | 369.15 g/mol |
| LogP | 5.517 |
| Topological Polar Surface Area | 37.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 369.14865 |
| Heavy Atoms | 25 |
| Complexity | 706.9867 |
Chemical Identifiers
| CAS Number | 339011-22-2 |
|---|---|
| SMILES | CCNC1=NC(=CC(=N1)SCC2=CC=C(C=C2)C(C)(C)C)C(F)(F)F |
Product Overview
4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine (CAS 339011-22-2), with molecular formula C18H22F3N3S and molecular weight 369.15 g/mol. IUPAC: 4-[(4-tert-butylphenyl)methylsulfanyl]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine.
Chemical Property Profile of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine
Property Insights of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine
The XLogP value of 5.517 indicates that 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.81 Ų, 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine?
The CAS number of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine is 339011-22-2.
What is the molecular formula of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine?
The molecular formula of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine is C18H22F3N3S.
What is the molecular weight of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine?
The molecular weight of 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine is 369.15 g/mol.
Where can I buy 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine?
You can request a quote for 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine?
Yes, KEHONG BIO provides custom synthesis services for 4-{[4-(tert-butyl)benzyl]sulfanyl}-N-ethyl-6-(trifluoromethyl)-2-pyrimidinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.