![methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate structure](/static/products/406/406201-85-2.png)
methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate
TL;DR: methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate (CAS 406201-85-2) is a chemical compound with molecular formula C20H17ClN4O3S3 and molecular weight 492.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(E)-[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
Also Known As: methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate, (E)-methyl 4-((2-(2-((5-((4-chlorobenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)benzoate, methyl 4-((E)-{[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazono}methyl)benzoate, methyl 4-[(E)-[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate
| Molecular Formula | C20H17ClN4O3S3 |
|---|---|
| Molecular Weight | 492.02 g/mol |
| LogP | 4.5128 |
| Topological Polar Surface Area | 93.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.01514 |
| Heavy Atoms | 31 |
| Complexity | 1056.2919 |
Chemical Identifiers
| CAS Number | 406201-85-2 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)/C=N/NC(=O)CSC2=NN=C(S2)SCC3=CC=C(C=C3)Cl |
Product Overview
methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate (CAS 406201-85-2), with molecular formula C20H17ClN4O3S3 and molecular weight 492.02 g/mol. IUPAC: methyl 4-[(E)-[[2-[[5-[(4-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoate.
Chemical Property Profile of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate
Property Insights of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate
The XLogP value of 4.5128 indicates that methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate 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 methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate. Following Lipinski's Rule of Five, methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate has 1 hydrogen bond donor(s) and 9 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 methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate?
The CAS number of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate is 406201-85-2.
What is the molecular formula of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate?
The molecular formula of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate is C20H17ClN4O3S3.
What is the molecular weight of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate?
The molecular weight of methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate is 492.02 g/mol.
Where can I buy methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate?
You can request a quote for methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-[(E)-{2-[({5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.