2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
TL;DR: 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide (CAS 339101-97-2) 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-[(2-chlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: Bionet1_001552, 8J-541S, 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide, 2-[(2-chlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-{[(2-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 | 866.6952 |
Chemical Identifiers
| CAS Number | 339101-97-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NC=C(C=N2)C3=CC(=CC=C3)C(F)(F)F)Cl |
Product Overview
2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide (CAS 339101-97-2), with molecular formula C18H12ClF3N2S and molecular weight 380.04 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
Property Insights of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide
The XLogP value of 6.1081 indicates that 2-Chlorobenzyl 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-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chlorobenzyl 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-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The CAS number of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is 339101-97-2.
What is the molecular formula of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The molecular formula of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is C18H12ClF3N2S.
What is the molecular weight of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
The molecular weight of 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide is 380.04 g/mol.
Where can I buy 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
You can request a quote for 2-Chlorobenzyl 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-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 2-Chlorobenzyl 5-(3-(trifluoromethyl)phenyl)-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.