(E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613250-00-3) is a chemical compound with molecular formula C17H14ClFN4OS and molecular weight 376.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H14ClFN4OS |
|---|---|
| Molecular Weight | 376.06 g/mol |
| LogP | 4.68109 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 376.0561 |
| Heavy Atoms | 25 |
| Complexity | 945.27435 |
Chemical Identifiers
| CAS Number | 613250-00-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=C(C=CC=C3Cl)F |
Product Overview
(E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 613250-00-3), with molecular formula C17H14ClFN4OS and molecular weight 376.06 g/mol. IUPAC: 4-[(E)-(2-chloro-6-fluorophenyl)methylideneamino]-3-(4-ethoxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.68109 indicates that (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-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)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-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)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 613250-00-3.
What is the molecular formula of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is C17H14ClFN4OS.
What is the molecular weight of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol is 376.06 g/mol.
Where can I buy (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-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)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-chloro-6-fluorobenzylidene)amino)-5-(4-ethoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.