![3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide structure](/static/products/866/866136-19-8.png)
3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide
TL;DR: 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide (CAS 866136-19-8) is a chemical compound with molecular formula C18H12F4N2S and molecular weight 364.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine
Also Known As: 8J-535S, 3-fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide, 2-[(3-fluorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine, 2-{[(3-fluorophenyl)methyl]sulfanyl}-5-[3-(trifluoromethyl)phenyl]pyrimidine
| Molecular Formula | C18H12F4N2S |
|---|---|
| Molecular Weight | 364.07 g/mol |
| LogP | 5.5938 |
| Topological Polar Surface Area | 25.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.06573 |
| Heavy Atoms | 25 |
| Complexity | 863.4501 |
Chemical Identifiers
| CAS Number | 866136-19-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC2=NC=C(C=N2)C3=CC(=CC=C3)C(F)(F)F |
Product Overview
3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide (CAS 866136-19-8), with molecular formula C18H12F4N2S and molecular weight 364.07 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]-5-[3-(trifluoromethyl)phenyl]pyrimidine.
Chemical Property Profile of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide
Property Insights of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide
The XLogP value of 5.5938 indicates that 3-Fluorobenzyl 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, 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzyl 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 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide?
The CAS number of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide is 866136-19-8.
What is the molecular formula of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide?
The molecular formula of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide is C18H12F4N2S.
What is the molecular weight of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide?
The molecular weight of 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide is 364.07 g/mol.
Where can I buy 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide?
You can request a quote for 3-Fluorobenzyl 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 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzyl 5-[3-(trifluoromethyl)phenyl]-2-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.