(E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 613250-65-0) is a chemical compound with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol, 3-(4-dimethylaminophenyl)-4-[(E)-(3-methoxy-4-phenylmethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-({(E)-[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino)-5-[4-(dimethylamino)phenyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione, 4-({(E)-[4-(BENZYLOXY)-3-METHOXYPHENYL]METHYLIDENE}AMINO)-5-[4-(DIMETHYLAMINO)PHENYL]-4H-1,2,4-TRIAZOLE-3-THIOL, 4-{(1E)-2-[3-methoxy-4-(phenylmethoxy)phenyl]-1-azavinyl}-5-[4-(dimethylamino) phenyl]-1,2,4-triazole-3-thiol
| Molecular Formula | C25H25N5O2S |
|---|---|
| Molecular Weight | 459.17 g/mol |
| LogP | 5.14349 |
| Topological Polar Surface Area | 67.67 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 459.17288 |
| Heavy Atoms | 33 |
| Complexity | 1294.6343 |
Chemical Identifiers
| CAS Number | 613250-65-0 |
|---|---|
| SMILES | CN(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-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol (CAS 613250-65-0), with molecular formula C25H25N5O2S and molecular weight 459.17 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-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-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 5.14349 indicates that (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.67 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 6 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-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is 613250-65-0.
What is the molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is C25H25N5O2S.
What is the molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol is 459.17 g/mol.
Where can I buy (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-4-((4-(benzyloxy)-3-methoxybenzylidene)amino)-5-(4-(dimethylamino)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-(dimethylamino)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-(dimethylamino)phenyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.