![2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide structure](/static/products/861/861147-89-9.png)
2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide
TL;DR: 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide (CAS 861147-89-9) is a chemical compound with molecular formula C30H23N5OS2 and molecular weight 533.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
Also Known As: 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide, 2-(4,5-diphenyl(1,2,4-triazol-3-ylthio))-N-[4-(6-methylbenzothiazol-2-yl)pheny l]acetamide, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide, 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methylbenzothiazol-2-yl)phenyl]acetamide, 2-[(4,5-diphenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
| Molecular Formula | C30H23N5OS2 |
|---|---|
| Molecular Weight | 533.13 g/mol |
| LogP | 7.25022 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 533.1344 |
| Heavy Atoms | 38 |
| Complexity | 1711.0468 |
Chemical Identifiers
| CAS Number | 861147-89-9 |
|---|---|
| SMILES | CC1=CC2=C(C=C1)N=C(S2)C3=CC=C(C=C3)NC(=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6 |
Product Overview
2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide (CAS 861147-89-9), with molecular formula C30H23N5OS2 and molecular weight 533.13 g/mol. IUPAC: 2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide.
Chemical Property Profile of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide
Property Insights of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide
The XLogP value of 7.25022 indicates that 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide?
The CAS number of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide is 861147-89-9.
What is the molecular formula of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide?
The molecular formula of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide is C30H23N5OS2.
What is the molecular weight of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide?
The molecular weight of 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide is 533.13 g/mol.
Where can I buy 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide?
You can request a quote for 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4,5-diphenyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.