(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol (CAS 487031-57-2) is a chemical compound with molecular formula C22H17BrN4OS and molecular weight 464.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-bromophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol, 4-((3-(BENZYLOXY)BENZYLIDENE)AMINO)5-(2-BR-PH)4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE, 5-(2-bromophenyl)-4-[(3-phenylmethoxyphenyl)methylideneamino]-2H-1,2,4-triazole-3-thione, 3-(2-bromophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(2-bromophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H17BrN4OS |
|---|---|
| Molecular Weight | 464.03 g/mol |
| LogP | 5.83139 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 464.03064 |
| Heavy Atoms | 29 |
| Complexity | 1200.6752 |
Chemical Identifiers
| CAS Number | 487031-57-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=CC=C4Br |
Product Overview
(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol (CAS 487031-57-2), with molecular formula C22H17BrN4OS and molecular weight 464.03 g/mol. IUPAC: 3-(2-bromophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.83139 indicates that (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-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-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-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-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol is 487031-57-2.
What is the molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol is C22H17BrN4OS.
What is the molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol is 464.03 g/mol.
Where can I buy (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-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-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(2-bromophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.