(E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
TL;DR: (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 489399-02-2) is a chemical compound with molecular formula C21H19ClN4O4S3 and molecular weight 522.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
Also Known As: (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate, [4-[(E)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate
| Molecular Formula | C21H19ClN4O4S3 |
|---|---|
| Molecular Weight | 522.03 g/mol |
| LogP | 4.6601 |
| Topological Polar Surface Area | 102.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 522.0257 |
| Heavy Atoms | 33 |
| Complexity | 1156.0433 |
Chemical Identifiers
| CAS Number | 489399-02-2 |
|---|---|
| SMILES | CC(=O)OC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(S2)SCC3=CC=CC=C3Cl)OC |
Product Overview
(E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate (CAS 489399-02-2), with molecular formula C21H19ClN4O4S3 and molecular weight 522.03 g/mol. IUPAC: [4-[(E)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2-methoxyphenyl] acetate.
Chemical Property Profile of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
Property Insights of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate
The XLogP value of 4.6601 indicates that (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl 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)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate. Following Lipinski's Rule of Five, (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl 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)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The CAS number of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is 489399-02-2.
What is the molecular formula of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The molecular formula of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is C21H19ClN4O4S3.
What is the molecular weight of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
The molecular weight of (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate is 522.03 g/mol.
Where can I buy (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
You can request a quote for (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (E)-4-((2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)-2-methoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.