2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
TL;DR: 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide (CAS 831208-22-1) is a chemical compound with molecular formula C20H19N5OS and molecular weight 377.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[[5-(1H-indol-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: IFLab1_003023, IDI1_009482, F0653-0068, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide, N-benzyl-2-{[5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C20H19N5OS |
|---|---|
| Molecular Weight | 377.13 g/mol |
| LogP | 3.3719 |
| Topological Polar Surface Area | 75.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 377.13104 |
| Heavy Atoms | 27 |
| Complexity | 1070.3778 |
Chemical Identifiers
| CAS Number | 831208-22-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NCC2=CC=CC=C2)C3=CNC4=CC=CC=C43 |
Product Overview
2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide (CAS 831208-22-1), with molecular formula C20H19N5OS and molecular weight 377.13 g/mol. IUPAC: N-benzyl-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-benzylacetamide
Property Insights of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide
The XLogP value of 3.3719 indicates that 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide 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-benzylacetamide. Following Lipinski's Rule of Five, 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide 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-benzylacetamide?
The CAS number of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide is 831208-22-1.
What is the molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
The molecular formula of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide is C20H19N5OS.
What is the molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
The molecular weight of 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide is 377.13 g/mol.
Where can I buy 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide?
You can request a quote for 2-((5-(1H-indol-3-yl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N-benzylacetamide 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-benzylacetamide?
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-benzylacetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.