![3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole structure](/static/products/5960/5960-59-8.webp)
3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
TL;DR: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole (CAS 5960-59-8) is a chemical compound with molecular formula C21H20F4N4O2S2 and molecular weight 500.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
Also Known As: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole, 1-{3-[(4-Fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl}-4-[3-(trifluoromethyl)benzene-1-sulfonyl]-1,4-diazepane
| Molecular Formula | C21H20F4N4O2S2 |
|---|---|
| Molecular Weight | 500.10 g/mol |
| LogP | 4.1878 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 500.09637 |
| Heavy Atoms | 33 |
| Complexity | 1213.5027 |
Chemical Identifiers
| CAS Number | 5960-59-8 |
|---|---|
| SMILES | C1CN(CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C3=NC(=NS3)CC4=CC=C(C=C4)F |
Product Overview
3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole (CAS 5960-59-8), with molecular formula C21H20F4N4O2S2 and molecular weight 500.10 g/mol. IUPAC: 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole.
Chemical Property Profile of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
Property Insights of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole
The XLogP value of 4.1878 indicates that 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole. Following Lipinski's Rule of Five, 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
The CAS number of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole is 5960-59-8.
What is the molecular formula of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
The molecular formula of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole is C21H20F4N4O2S2.
What is the molecular weight of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
The molecular weight of 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole is 500.10 g/mol.
Where can I buy 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
You can request a quote for 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-fluorophenyl)methyl]-5-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1,4-diazepan-1-yl]-1,2,4-thiadiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.