(E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613249-29-9) is a chemical compound with molecular formula C17H13F3N4OS and molecular weight 378.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-methoxyphenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(3-methoxyphenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione, 4-{(1E)-2-[4-(trifluoromethyl)phenyl]-1-azavinyl}-5-(3-methoxyphenyl)-1,2,4-tr iazole-3-thiol, 5-(3-methoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-(3-methoxyphenyl)-4-({(E)-[4-(trifluoromethyl)phenyl]methylidene}amino)-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C17H13F3N4OS |
|---|---|
| Molecular Weight | 378.08 g/mol |
| LogP | 4.51729 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 378.0762 |
| Heavy Atoms | 26 |
| Complexity | 990.23285 |
Chemical Identifiers
| CAS Number | 613249-29-9 |
|---|---|
| SMILES | COC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=C(C=C3)C(F)(F)F |
Product Overview
(E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613249-29-9), with molecular formula C17H13F3N4OS and molecular weight 378.08 g/mol. IUPAC: 3-(3-methoxyphenyl)-4-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.51729 indicates that (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.2 Ų, (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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 (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613249-29-9.
What is the molecular formula of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is C17H13F3N4OS.
What is the molecular weight of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol is 378.08 g/mol.
Where can I buy (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(3-methoxyphenyl)-4-((4-(trifluoromethyl)benzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.