(E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate
TL;DR: (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate (CAS 406465-92-7) is a chemical compound with molecular formula C28H27N5O5S and molecular weight 545.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate
Also Known As: (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate, [2-methoxy-4-[(E)-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate, 2-methoxy-4-{(E)-[2-({[4-(4-methoxyphenyl)-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)hydrazinylidene]methyl}phenyl acetate
| Molecular Formula | C28H27N5O5S |
|---|---|
| Molecular Weight | 545.17 g/mol |
| LogP | 4.42762 |
| Topological Polar Surface Area | 116.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 545.1733 |
| Heavy Atoms | 39 |
| Complexity | 1483.477 |
Chemical Identifiers
| CAS Number | 406465-92-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)N/N=C/C4=CC(=C(C=C4)OC(=O)C)OC |
Product Overview
(E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate (CAS 406465-92-7), with molecular formula C28H27N5O5S and molecular weight 545.17 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[[4-(4-methoxyphenyl)-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate.
Chemical Property Profile of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate
Property Insights of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate
The XLogP value of 4.42762 indicates that (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate. Following Lipinski's Rule of Five, (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
The CAS number of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is 406465-92-7.
What is the molecular formula of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
The molecular formula of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is C28H27N5O5S.
What is the molecular weight of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
The molecular weight of (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is 545.17 g/mol.
Where can I buy (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
You can request a quote for (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methoxy-4-((2-(2-((4-(4-methoxyphenyl)-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.