4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide
TL;DR: 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide (CAS 477332-73-3) is a chemical compound with molecular formula C18H16N4O2S3 and molecular weight 416.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((5-(Benzylthio)-1,3,4-thiadiazol-2-yl)thio)acetamido)benzamide, 4-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide, 4-((((5-(BENZYLTHIO)-1,3,4-THIADIAZOL-2-YL)THIO)ACETYL)AMINO)BENZAMIDE, 4-[({[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetyl)amino]benzamide, 4-(2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}acetamido)benzamide
| Molecular Formula | C18H16N4O2S3 |
|---|---|
| Molecular Weight | 416.04 g/mol |
| LogP | 3.6601 |
| Topological Polar Surface Area | 97.97 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 416.04355 |
| Heavy Atoms | 27 |
| Complexity | 913.87085 |
Chemical Identifiers
| CAS Number | 477332-73-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)C(=O)N |
Product Overview
4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide (CAS 477332-73-3), with molecular formula C18H16N4O2S3 and molecular weight 416.04 g/mol. IUPAC: 4-[[2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide
Property Insights of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide
The XLogP value of 3.6601 indicates that 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide. Following Lipinski's Rule of Five, 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide has 2 hydrogen bond donor(s) and 7 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-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide?
The CAS number of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide is 477332-73-3.
What is the molecular formula of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide?
The molecular formula of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide is C18H16N4O2S3.
What is the molecular weight of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide?
The molecular weight of 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide is 416.04 g/mol.
Where can I buy 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide?
You can request a quote for 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-((((5-(Benzylthio)-1,3,4-thiadiazol-2-YL)thio)acetyl)amino)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.