(E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488111-31-5) is a chemical compound with molecular formula C18H17BrN4O3S and molecular weight 448.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 5-(2-BR-PHENYL)-4-((2,4,5-TRIMETHOXYBENZYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 5-(2-bromophenyl)-4-[(2,4,5-trimethoxyphenyl)methylideneamino]-2H-1,2,4-triazole-3-thione, 3-(2-bromophenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 5-(2-bromophenyl)-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H17BrN4O3S |
|---|---|
| Molecular Weight | 448.02 g/mol |
| LogP | 4.27819 |
| Topological Polar Surface Area | 73.66 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 448.02048 |
| Heavy Atoms | 27 |
| Complexity | 1045.3263 |
Chemical Identifiers
| CAS Number | 488111-31-5 |
|---|---|
| SMILES | COC1=CC(=C(C=C1/C=N/N2C(=NNC2=S)C3=CC=CC=C3Br)OC)OC |
Product Overview
(E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 488111-31-5), with molecular formula C18H17BrN4O3S and molecular weight 448.02 g/mol. IUPAC: 3-(2-bromophenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.27819 indicates that (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.66 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 488111-31-5.
What is the molecular formula of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C18H17BrN4O3S.
What is the molecular weight of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 448.02 g/mol.
Where can I buy (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)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-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2-bromophenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.