![4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid structure](/static/products/488/488128-64-9.png)
4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid
TL;DR: 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid (CAS 488128-64-9) is a chemical compound with molecular formula C19H15ClN4O3S3 and molecular weight 478.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid
Also Known As: 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid, 4-[(1Z)-2-(2-{5-[(2-chlorophenyl)methylthio](1,3,4-thiadiazol-2-ylthio)}acetyl amino)-2-azavinyl]benzoic acid, 4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid, 4-[(Z)-{2-[({5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}sulfanyl)acetyl]hydrazinylidene}methyl]benzoic acid
| Molecular Formula | C19H15ClN4O3S3 |
|---|---|
| Molecular Weight | 478.00 g/mol |
| LogP | 4.4244 |
| Topological Polar Surface Area | 104.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.99948 |
| Heavy Atoms | 30 |
| Complexity | 1057.188 |
Chemical Identifiers
| CAS Number | 488128-64-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=NN=C(S2)SCC(=O)N/N=C\C3=CC=C(C=C3)C(=O)O)Cl |
Product Overview
4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid (CAS 488128-64-9), with molecular formula C19H15ClN4O3S3 and molecular weight 478.00 g/mol. IUPAC: 4-[(Z)-[[2-[[5-[(2-chlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]acetyl]hydrazinylidene]methyl]benzoic acid.
Chemical Property Profile of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid
Property Insights of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid
The XLogP value of 4.4244 indicates that 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-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-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid. Following Lipinski's Rule of Five, 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-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-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid?
The CAS number of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid is 488128-64-9.
What is the molecular formula of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid?
The molecular formula of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid is C19H15ClN4O3S3.
What is the molecular weight of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid?
The molecular weight of 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid is 478.00 g/mol.
Where can I buy 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid?
You can request a quote for 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-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-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-({2-[5-(2-Chloro-benzylsulfanyl)-[1,3,4]thiadiazol-2-ylsulfanyl]-acetyl}-hydrazonomethyl)-benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.