2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
TL;DR: 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide (CAS 244639-98-3) is a chemical compound with molecular formula C19H14ClF3N4O2S3 and molecular weight 517.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methylsulfanyl]-N-[5-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
Also Known As: 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide, 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide
| Molecular Formula | C19H14ClF3N4O2S3 |
|---|---|
| Molecular Weight | 517.99 g/mol |
| LogP | 5.2115 |
| Topological Polar Surface Area | 83.98 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 517.99194 |
| Heavy Atoms | 32 |
| Complexity | 1115.6974 |
Chemical Identifiers
| CAS Number | 244639-98-3 |
|---|---|
| SMILES | C1=CC(=CC=C1CSCC(=O)NC2=NN=C(S2)SCC(=O)NC3=C(C(=C(C=C3)F)F)F)Cl |
Product Overview
2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide (CAS 244639-98-3), with molecular formula C19H14ClF3N4O2S3 and molecular weight 517.99 g/mol. IUPAC: 2-[(4-chlorophenyl)methylsulfanyl]-N-[5-[2-oxo-2-(2,3,4-trifluoroanilino)ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]acetamide.
Chemical Property Profile of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
Property Insights of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide
The XLogP value of 5.2115 indicates that 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.98 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The CAS number of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is 244639-98-3.
What is the molecular formula of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular formula of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is C19H14ClF3N4O2S3.
What is the molecular weight of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
The molecular weight of 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide is 517.99 g/mol.
Where can I buy 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
You can request a quote for 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Chlorobenzyl)thio)-N-(5-((2-oxo-2-((2,3,4-trifluorophenyl)amino)ethyl)thio)-1,3,4-thiadiazol-2-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.