![4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid structure](/static/products/488/488110-08-3.png)
4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid
TL;DR: 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid (CAS 488110-08-3) is a chemical compound with molecular formula C20H18N4O3S3 and molecular weight 458.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[[2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid, (E)-4-((2-(2-((5-((4-methylbenzyl)thio)-1,3,4-thiadiazol-2-yl)thio)acetyl)hydrazono)methyl)benzoic acid, 4-((E)-{[({5-[(4-METHYLBENZYL)SULFANYL]-1,3,4-THIADIAZOL-2-YL}SULFANYL)ACETYL]HYDRAZONO}METHYL)BENZOIC ACID, 4-({2-[5-(4-Methyl-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid, 4-[(1E)-2-(2-{5-[(4-methylphenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}acetyl amino)-2-azavinyl]benzoic acid
| Molecular Formula | C20H18N4O3S3 |
|---|---|
| Molecular Weight | 458.05 g/mol |
| LogP | 4.07942 |
| Topological Polar Surface Area | 104.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 458.0541 |
| Heavy Atoms | 30 |
| Complexity | 1034.2101 |
Chemical Identifiers
| CAS Number | 488110-08-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)N/N=C/C3=CC=C(C=C3)C(=O)O |
Product Overview
4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid (CAS 488110-08-3), with molecular formula C20H18N4O3S3 and molecular weight 458.05 g/mol. IUPAC: 4-[(E)-[[2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid
Property Insights of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid
The XLogP value of 4.07942 indicates that 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid. Following Lipinski's Rule of Five, 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid has 2 hydrogen bond donor(s) and 8 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 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid?
The CAS number of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid is 488110-08-3.
What is the molecular formula of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid?
The molecular formula of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid is C20H18N4O3S3.
What is the molecular weight of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid?
The molecular weight of 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid is 458.05 g/mol.
Where can I buy 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid?
You can request a quote for 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-{2-[({5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.