2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine
TL;DR: 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine (CAS 339019-58-8) is a chemical compound with molecular formula C11H14F3N3S and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylsulfanyl-4-piperidin-1-yl-6-(trifluoromethyl)pyrimidine
Also Known As: 2-(methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine, 7N-533S, 2-methylsulfanyl-4-piperidin-1-yl-6-(trifluoromethyl)pyrimidine, 2-(methylsulfanyl)-4-(piperidin-1-yl)-6-(trifluoromethyl)pyrimidine, 2-methylsulfanyl-4-(1-piperidyl)-6-(trifluoromethyl)pyrimidine
| Molecular Formula | C11H14F3N3S |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 3.2076 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.08606 |
| Heavy Atoms | 18 |
| Complexity | 416.48474 |
Chemical Identifiers
| CAS Number | 339019-58-8 |
|---|---|
| SMILES | CSC1=NC(=CC(=N1)N2CCCCC2)C(F)(F)F |
Product Overview
2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine (CAS 339019-58-8), with molecular formula C11H14F3N3S and molecular weight 277.09 g/mol. IUPAC: 2-methylsulfanyl-4-piperidin-1-yl-6-(trifluoromethyl)pyrimidine.
Chemical Property Profile of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine
Property Insights of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine
The XLogP value of 3.2076 indicates that 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine has 0 hydrogen bond donor(s) and 4 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 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine?
The CAS number of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine is 339019-58-8.
What is the molecular formula of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine?
The molecular formula of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine is C11H14F3N3S.
What is the molecular weight of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine?
The molecular weight of 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine is 277.09 g/mol.
Where can I buy 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine?
You can request a quote for 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Methylsulfanyl)-4-piperidino-6-(trifluoromethyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.