![4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide structure](/static/products/691/691390-97-3.png)
4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
TL;DR: 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 691390-97-3) is a chemical compound with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide, AS-871/42885595, 4-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione, 4-((1E)-2-{3-methoxy-4-[(4-methylphenyl)methoxy]phenyl}-1-azavinyl)-5-methyl-1 ,2,4-triazole-3-thiol
| Molecular Formula | C19H20N4O2S |
|---|---|
| Molecular Weight | 368.13 g/mol |
| LogP | 4.02733 |
| Topological Polar Surface Area | 64.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.1307 |
| Heavy Atoms | 26 |
| Complexity | 973.94934 |
Chemical Identifiers
| CAS Number | 691390-97-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)COC2=C(C=C(C=C2)/C=N/N3C(=NNC3=S)C)OC |
Product Overview
4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide (CAS 691390-97-3), with molecular formula C19H20N4O2S and molecular weight 368.13 g/mol. IUPAC: 4-[(E)-[3-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-3-methyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
Property Insights of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide
The XLogP value of 4.02733 indicates that 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide 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 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide. Following Lipinski's Rule of Five, 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide has 1 hydrogen bond donor(s) and 5 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 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The CAS number of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide is 691390-97-3.
What is the molecular formula of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular formula of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide is C19H20N4O2S.
What is the molecular weight of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide?
The molecular weight of 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide is 368.13 g/mol.
Where can I buy 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide?
You can request a quote for 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide?
Yes, KEHONG BIO provides custom synthesis services for 4-({3-methoxy-4-[(4-methylbenzyl)oxy]benzylidene}amino)-5-methyl-4H-1,2,4-triazol-3-yl hydrosulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.