N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 849030-64-4) is a chemical compound with molecular formula C23H28N4OS and molecular weight 408.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-butylphenyl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-butylphenyl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-butylphenyl)-2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
| Molecular Formula | C23H28N4OS |
|---|---|
| Molecular Weight | 408.20 g/mol |
| LogP | 5.34682 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 408.1984 |
| Heavy Atoms | 29 |
| Complexity | 932.5166 |
Chemical Identifiers
| CAS Number | 849030-64-4 |
|---|---|
| SMILES | CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=C(C=C3)C |
Product Overview
N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 849030-64-4), with molecular formula C23H28N4OS and molecular weight 408.20 g/mol. IUPAC: N-(4-butylphenyl)-2-[[4-ethyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.34682 indicates that N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 4 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-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 849030-64-4.
What is the molecular formula of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C23H28N4OS.
What is the molecular weight of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 408.20 g/mol.
Where can I buy N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)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-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-butylphenyl)-2-((4-ethyl-5-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.