![N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/861/861117-77-3.png)
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861117-77-3) is a chemical compound with molecular formula C31H25N5OS2 and molecular weight 547.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-(6-methylbenzo[d]thiazol-2-yl)phenyl)-2-((5-phenyl-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[4-(6-methylbenzothiazol-2-yl)phenyl]-2-[4-(4-methylphenyl)-5-phenyl(1,2,4-t riazol-3-ylthio)]acetamide
| Molecular Formula | C31H25N5OS2 |
|---|---|
| Molecular Weight | 547.15 g/mol |
| LogP | 7.55864 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 547.15 |
| Heavy Atoms | 39 |
| Complexity | 1757.4762 |
Chemical Identifiers
| CAS Number | 861117-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C4=NC5=C(S4)C=C(C=C5)C)C6=CC=CC=C6 |
Product Overview
N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 861117-77-3), with molecular formula C31H25N5OS2 and molecular weight 547.15 g/mol. IUPAC: N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-[[4-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 7.55864 indicates that N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 861117-77-3.
What is the molecular formula of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C31H25N5OS2.
What is the molecular weight of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 547.15 g/mol.
Where can I buy N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]-2-{[4-(4-methylphenyl)-5-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.