(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 497083-65-5) is a chemical compound with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-tert-butylphenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-tert-butylphenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-(4-tert-butylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-({(E)-[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYLIDENE}AMINO)-5-(4-TERT-BUTYLPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL
| Molecular Formula | C27H28N4O2S |
|---|---|
| Molecular Weight | 472.19 g/mol |
| LogP | 6.37499 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 472.1933 |
| Heavy Atoms | 34 |
| Complexity | 1333.8054 |
Chemical Identifiers
| CAS Number | 497083-65-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3)OCC4=CC=CC=C4)OC |
Product Overview
(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 497083-65-5), with molecular formula C27H28N4O2S and molecular weight 472.19 g/mol. IUPAC: 3-(4-tert-butylphenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 6.37499 indicates that (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.43 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 5 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-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol is 497083-65-5.
What is the molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol is C27H28N4O2S.
What is the molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol is 472.19 g/mol.
Where can I buy (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-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-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(tert-butyl)phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.