(E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
TL;DR: (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613250-85-4) is a chemical compound with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(dimethylamino)phenyl]-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol, 3-(4-dimethylaminophenyl)-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione, 4-[(1E)-2-(2,4,5-trimethoxyphenyl)-1-azavinyl]-5-[4-(dimethylamino)phenyl]-1,2 ,4-triazole-3-thiol, 5-[4-(dimethylamino)phenyl]-4-{[(E)-(2,4,5-trimethoxyphenyl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione, 5-[4-(DIMETHYLAMINO)PHENYL]-4-{[(E)-(2,4,5-TRIMETHOXYPHENYL)METHYLIDENE]AMINO}-4H-1,2,4-TRIAZOL-3-YL HYDROSULFIDE
| Molecular Formula | C20H23N5O3S |
|---|---|
| Molecular Weight | 413.15 g/mol |
| LogP | 3.58169 |
| Topological Polar Surface Area | 76.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 413.15216 |
| Heavy Atoms | 29 |
| Complexity | 1070.7109 |
Chemical Identifiers
| CAS Number | 613250-85-4 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C/C3=CC(=C(C=C3OC)OC)OC |
Product Overview
(E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol (CAS 613250-85-4), with molecular formula C20H23N5O3S and molecular weight 413.15 g/mol. IUPAC: 3-[4-(dimethylamino)phenyl]-4-[(E)-(2,4,5-trimethoxyphenyl)methylideneamino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
Property Insights of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.58169 indicates that (E)-5-(4-(dimethylamino)phenyl)-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 76.9 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol. Following Lipinski's Rule of Five, (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 7 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-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The CAS number of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 613250-85-4.
What is the molecular formula of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular formula of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is C20H23N5O3S.
What is the molecular weight of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
The molecular weight of (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol is 413.15 g/mol.
Where can I buy (E)-5-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
You can request a quote for (E)-5-(4-(dimethylamino)phenyl)-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-(4-(dimethylamino)phenyl)-4-((2,4,5-trimethoxybenzylidene)amino)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(4-(dimethylamino)phenyl)-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.