2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
TL;DR: 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 339101-71-2) is a chemical compound with molecular formula C18H12ClF3N2S and molecular weight 380.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: Bionet1_001542, 8J-518S, 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine, 2-[(4-chlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-{[(4-chlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine
| Molecular Formula | C18H12ClF3N2S |
|---|---|
| Molecular Weight | 380.04 g/mol |
| LogP | 6.1081 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 380.0362 |
| Heavy Atoms | 25 |
| Complexity | 849.4452 |
Chemical Identifiers
| CAS Number | 339101-71-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(N=C2)SCC3=CC=C(C=C3)Cl |
Product Overview
2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 339101-71-2), with molecular formula C18H12ClF3N2S and molecular weight 380.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
Property Insights of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
The XLogP value of 6.1081 indicates that 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
The CAS number of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is 339101-71-2.
What is the molecular formula of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
The molecular formula of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is C18H12ClF3N2S.
What is the molecular weight of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
The molecular weight of 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is 380.04 g/mol.
Where can I buy 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
You can request a quote for 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)sulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.