![4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate structure](/static/products/489/489401-30-1.png)
4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate
TL;DR: 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate (CAS 489401-30-1) is a chemical compound with molecular formula C21H19ClN4O3S3 and molecular weight 506.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-N-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate
Also Known As: 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate, (E)-4-(1-(2-(2-((5-((2-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)ethyl)phenyl acetate, 4-[(1E)-2-(2-{5-[(2-chlorophenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}acetyl amino)-1-methyl-2-azavinyl]phenyl acetate
| Molecular Formula | C21H19ClN4O3S3 |
|---|---|
| Molecular Weight | 506.03 g/mol |
| LogP | 5.0416 |
| Topological Polar Surface Area | 93.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 506.0308 |
| Heavy Atoms | 32 |
| Complexity | 1119.4874 |
Chemical Identifiers
| CAS Number | 489401-30-1 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=C(S1)SCC2=CC=CC=C2Cl)/C3=CC=C(C=C3)OC(=O)C |
Product Overview
4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate (CAS 489401-30-1), with molecular formula C21H19ClN4O3S3 and molecular weight 506.03 g/mol. IUPAC: [4-[(E)-N-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]amino]-C-methylcarbonimidoyl]phenyl] acetate.
Chemical Property Profile of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate
Property Insights of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate
The XLogP value of 5.0416 indicates that 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate. Following Lipinski's Rule of Five, 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]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 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate?
The CAS number of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate is 489401-30-1.
What is the molecular formula of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate?
The molecular formula of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate is C21H19ClN4O3S3.
What is the molecular weight of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate?
The molecular weight of 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate is 506.03 g/mol.
Where can I buy 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate?
You can request a quote for 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 4-[(1E)-1-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}ethyl]phenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.