2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
TL;DR: 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide (CAS 339101-85-8) is a chemical compound with molecular formula C18H11Cl2F3N2S and molecular weight 414.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: 8J-527S, 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide, 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-{[(2,6-dichlorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-((2,6-Dichlorobenzyl)thio)-5-(3-(trifluoromethyl)phenyl)pyrimidine
| Molecular Formula | C18H11Cl2F3N2S |
|---|---|
| Molecular Weight | 414.00 g/mol |
| LogP | 6.7615 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.99722 |
| Heavy Atoms | 26 |
| Complexity | 894.80493 |
Chemical Identifiers
| CAS Number | 339101-85-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)C(F)(F)F)C2=CN=C(N=C2)SCC3=C(C=CC=C3Cl)Cl |
Product Overview
2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide (CAS 339101-85-8), with molecular formula C18H11Cl2F3N2S and molecular weight 414.00 g/mol. IUPAC: 2-[(2,6-dichlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
Property Insights of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
The XLogP value of 6.7615 indicates that 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 25.78 Ų, 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide 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 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The CAS number of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is 339101-85-8.
What is the molecular formula of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The molecular formula of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is C18H11Cl2F3N2S.
What is the molecular weight of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The molecular weight of 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is 414.00 g/mol.
Where can I buy 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
You can request a quote for 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dichlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.