N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide
TL;DR: N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 849000-99-3) is a chemical compound with molecular formula C21H22Cl2N4O3S and molecular weight 480.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(4-chloro-2-methoxy-5-methylphenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-ethyl(1 ,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C21H22Cl2N4O3S |
|---|---|
| Molecular Weight | 480.08 g/mol |
| LogP | 5.23162 |
| Topological Polar Surface Area | 78.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 480.07898 |
| Heavy Atoms | 31 |
| Complexity | 1057.5236 |
Chemical Identifiers
| CAS Number | 849000-99-3 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C(=C2)C)Cl)OC)COC3=CC=C(C=C3)Cl |
Product Overview
N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide (CAS 849000-99-3), with molecular formula C21H22Cl2N4O3S and molecular weight 480.08 g/mol. IUPAC: N-(4-chloro-2-methoxy-5-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide
Property Insights of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide
The XLogP value of 5.23162 indicates that N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-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 78.27 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide. Following Lipinski's Rule of Five, N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)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-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The CAS number of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 849000-99-3.
What is the molecular formula of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular formula of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide is C21H22Cl2N4O3S.
What is the molecular weight of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
The molecular weight of N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide is 480.08 g/mol.
Where can I buy N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
You can request a quote for N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-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-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chloro-2-methoxy-5-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.