2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
TL;DR: 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide (CAS 852142-81-5) is a chemical compound with molecular formula C21H21N5OS and molecular weight 391.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3,5-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide, F0653-0030, N-(3,5-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3,5-dimethylphenyl)-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3,5-dimethylphenyl)-2-[(5-indol-3-ylidene-4-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C21H21N5OS |
|---|---|
| Molecular Weight | 391.15 g/mol |
| LogP | 4.31104 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.14667 |
| Heavy Atoms | 28 |
| Complexity | 1140.5349 |
Chemical Identifiers
| CAS Number | 852142-81-5 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)NC(=O)CSC2=NN=C(N2C)C3=CNC4=CC=CC=C43)C |
Product Overview
2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide (CAS 852142-81-5), with molecular formula C21H21N5OS and molecular weight 391.15 g/mol. IUPAC: N-(3,5-dimethylphenyl)-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
Property Insights of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide
The XLogP value of 4.31104 indicates that 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide has 2 hydrogen bond donor(s) and 4 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 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
The CAS number of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is 852142-81-5.
What is the molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
The molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is C21H21N5OS.
What is the molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
The molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide is 391.15 g/mol.
Where can I buy 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
You can request a quote for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dimethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.