4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 585564-01-8) is a chemical compound with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2-chlorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol, (E)-4-((2-chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol, 4-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-5-[3-(methylethoxy)phenyl]-1,2,4-triazo le-3-thiol, 4-[(E)-(2-chlorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione, 4-{[(E)-(2-chlorophenyl)methylidene]amino}-5-[3-(propan-2-yloxy)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H17ClN4OS |
|---|---|
| Molecular Weight | 372.08 g/mol |
| LogP | 4.93049 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 372.08115 |
| Heavy Atoms | 25 |
| Complexity | 961.45996 |
Chemical Identifiers
| CAS Number | 585564-01-8 |
|---|---|
| SMILES | CC(C)OC1=CC=CC(=C1)C2=NNC(=S)N2/N=C/C3=CC=CC=C3Cl |
Product Overview
4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol (CAS 585564-01-8), with molecular formula C18H17ClN4OS and molecular weight 372.08 g/mol. IUPAC: 4-[(E)-(2-chlorophenyl)methylideneamino]-3-(3-propan-2-yloxyphenyl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.93049 indicates that 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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, 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is 585564-01-8.
What is the molecular formula of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is C18H17ClN4OS.
What is the molecular weight of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol is 372.08 g/mol.
Where can I buy 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-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 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Chlorobenzylidene)amino)-5-(3-isopropoxyphenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.