(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 430451-58-4) is a chemical compound with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 4-{[3-(benzyloxy)benzylidene]amino}-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-4-[(3-phenylmethoxyphenyl)methylideneamino]-2H-1,2,4-triazole-3-thione, 3-(4-chlorophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[3-(benzyloxy)phenyl]methylidene}amino)-5-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C22H17ClN4OS |
|---|---|
| Molecular Weight | 420.08 g/mol |
| LogP | 5.72229 |
| Topological Polar Surface Area | 55.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.08115 |
| Heavy Atoms | 29 |
| Complexity | 1183.4252 |
Chemical Identifiers
| CAS Number | 430451-58-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=N/N3C(=NNC3=S)C4=CC=C(C=C4)Cl |
Product Overview
(E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol (CAS 430451-58-4), with molecular formula C22H17ClN4OS and molecular weight 420.08 g/mol. IUPAC: 3-(4-chlorophenyl)-4-[(E)-(3-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.72229 indicates that (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-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-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 430451-58-4.
What is the molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is C22H17ClN4OS.
What is the molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol is 420.08 g/mol.
Where can I buy (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-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-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((3-(benzyloxy)benzylidene)amino)-5-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.