4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-
TL;DR: 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- (CAS 298684-45-4) is a chemical compound with molecular formula C17H13F3N4O2S and molecular weight 394.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-benzyl-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-, 3-benzyl-4-methyl-5-{[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl}-4h-1,2,4-triazole, 4-Methyl-3-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-5-(phenylmethyl)-4H-1,2,4-triazole, 1-[4-methyl-5-benzyl(1,2,4-triazol-3-ylthio)]-2-nitro-4-(trifluoromethyl)benze ne, 3-Benzyl-4-methyl-5-([2-nitro-4-(trifluoromethyl)phenyl]sulfanyl)-4H-1,2,4-triazole #
| Molecular Formula | C17H13F3N4O2S |
|---|---|
| Molecular Weight | 394.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 394.07114 |
| Heavy Atoms | 27 |
| Complexity | 513.0 |
Chemical Identifiers
| CAS Number | 298684-45-4 |
|---|---|
| SMILES | CN1C(=NN=C1SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])CC3=CC=CC=C3 |
| InChIKey | RVRNSTXRWUVVSS-UHFFFAOYSA-N |
Product Overview
4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- (CAS 298684-45-4), with molecular formula C17H13F3N4O2S and molecular weight 394.07 g/mol. IUPAC: 3-benzyl-4-methyl-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-
Property Insights of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-
The XLogP value of 4.5 indicates that 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-?
The CAS number of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- is 298684-45-4.
What is the molecular formula of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-?
The molecular formula of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- is C17H13F3N4O2S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-?
The molecular weight of 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- is 394.07 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-?
You can request a quote for 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-benzyl-5-(4-trifluoromethyl-2-nitrophenylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.