N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861640-20-2) is a chemical compound with molecular formula C21H23ClN4O2S and molecular weight 430.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methylphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chloro-2-methylphenyl)-2-({4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(4-chloro-2-methylphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-2-methylphenyl)-2-{[4-ethyl-5-(4-methylphenoxymethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chloro-2-methylphenyl)-2-{4-ethyl-5-[(4-methylphenoxy)methyl](1,2,4-triaz ol-3-ylthio)}acetamide
| Molecular Formula | C21H23ClN4O2S |
|---|---|
| Molecular Weight | 430.12 g/mol |
| LogP | 4.87804 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 430.12302 |
| Heavy Atoms | 29 |
| Complexity | 988.8462 |
Chemical Identifiers
| CAS Number | 861640-20-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)Cl)C)COC3=CC=C(C=C3)C |
Product Overview
N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 861640-20-2), with molecular formula C21H23ClN4O2S and molecular weight 430.12 g/mol. IUPAC: N-(4-chloro-2-methylphenyl)-2-[[4-ethyl-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 4.87804 indicates that N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide has 1 hydrogen bond donor(s) and 5 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 N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 861640-20-2.
What is the molecular formula of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is C21H23ClN4O2S.
What is the molecular weight of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide is 430.12 g/mol.
Where can I buy N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-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-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methylphenyl)-2-((4-ethyl-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.