![3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide structure](/static/products/4778/477857-07-1.webp)
3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide
TL;DR: 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide (CAS 477857-07-1) is a chemical compound with molecular formula C16H10F4N2OS and molecular weight 354.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-fluorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
Also Known As: Bionet1_003911, 3-fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide, 11P-180, 2-{[(3-fluorophenyl)methyl]sulfanyl}-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole, 2-[(3-fluorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
| Molecular Formula | C16H10F4N2OS |
|---|---|
| Molecular Weight | 354.04 g/mol |
| LogP | 5.1868 |
| Topological Polar Surface Area | 38.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.04498 |
| Heavy Atoms | 24 |
| Complexity | 830.5939 |
Chemical Identifiers
| CAS Number | 477857-07-1 |
|---|---|
| SMILES | C1=CC(=CC(=C1)F)CSC2=NN=C(O2)C3=CC=C(C=C3)C(F)(F)F |
Product Overview
3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide (CAS 477857-07-1), with molecular formula C16H10F4N2OS and molecular weight 354.04 g/mol. IUPAC: 2-[(3-fluorophenyl)methylsulfanyl]-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole.
Chemical Property Profile of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide
Property Insights of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide
The XLogP value of 5.1868 indicates that 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.92 Ų, 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide has 0 hydrogen bond donor(s) and 4 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-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide?
The CAS number of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide is 477857-07-1.
What is the molecular formula of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide?
The molecular formula of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide is C16H10F4N2OS.
What is the molecular weight of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide?
The molecular weight of 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide is 354.04 g/mol.
Where can I buy 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide?
You can request a quote for 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl 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-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide?
Yes, KEHONG BIO provides custom synthesis services for 3-Fluorobenzyl 5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.