(E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate
TL;DR: (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate (CAS 497243-71-7) is a chemical compound with molecular formula C22H22N4O4S3 and molecular weight 502.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-methoxy-4-[(E)-[[2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate
Also Known As: (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate, [2-methoxy-4-[(E)-[[2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate, 2-methoxy-4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]phenyl acetate, 4-[(1E)-2-(2-{5-[(4-methylphenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}acetyl amino)-2-azavinyl]-2-methoxyphenyl acetate
| Molecular Formula | C22H22N4O4S3 |
|---|---|
| Molecular Weight | 502.08 g/mol |
| LogP | 4.31512 |
| Topological Polar Surface Area | 102.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.08032 |
| Heavy Atoms | 33 |
| Complexity | 1132.9246 |
Chemical Identifiers
| CAS Number | 497243-71-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC(=C(C=C3)OC(=O)C)OC |
Product Overview
(E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate (CAS 497243-71-7), with molecular formula C22H22N4O4S3 and molecular weight 502.08 g/mol. IUPAC: [2-methoxy-4-[(E)-[[2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]phenyl] acetate.
Chemical Property Profile of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate
Property Insights of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate
The XLogP value of 4.31512 indicates that (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.77 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate. Following Lipinski's Rule of Five, (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate has 1 hydrogen bond donor(s) and 10 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-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
The CAS number of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is 497243-71-7.
What is the molecular formula of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
The molecular formula of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is C22H22N4O4S3.
What is the molecular weight of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
The molecular weight of (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate is 502.08 g/mol.
Where can I buy (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
You can request a quote for (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-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-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-methoxy-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.