2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
TL;DR: 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 339101-81-4) is a chemical compound with molecular formula C18H13F3N2S and molecular weight 346.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-benzylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: 8J-525S, 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine, 2-(benzylsulfanyl)-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-benzylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine
| Molecular Formula | C18H13F3N2S |
|---|---|
| Molecular Weight | 346.08 g/mol |
| LogP | 5.4547 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 346.07516 |
| Heavy Atoms | 24 |
| Complexity | 802.4978 |
Chemical Identifiers
| CAS Number | 339101-81-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NC=C(C=N2)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine (CAS 339101-81-4), with molecular formula C18H13F3N2S and molecular weight 346.08 g/mol. IUPAC: 2-benzylsulfanyl-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
Property Insights of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine
The XLogP value of 5.4547 indicates that 2-(Benzylsulfanyl)-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-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Benzylsulfanyl)-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-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
The CAS number of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is 339101-81-4.
What is the molecular formula of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
The molecular formula of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is C18H13F3N2S.
What is the molecular weight of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
The molecular weight of 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine is 346.08 g/mol.
Where can I buy 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
You can request a quote for 2-(Benzylsulfanyl)-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-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzylsulfanyl)-5-(3-(trifluoromethyl)phenyl)pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.