![N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/861/861112-03-0.webp)
N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 861112-03-0) is a chemical compound with molecular formula C20H20Cl2N4O2S and molecular weight 450.0684 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(3-chloro-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(3-chloro-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide, N-(3-chloro-2-methylphenyl)-2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(3-chloro-2-methylphenyl)-2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, N-(3-chloro-2-methylphenyl)-2-{5-[(4-chlorophenoxy)methyl]-4-ethyl(1,2,4-triaz ol-3-ylthio)}acetamide
Technical Specifications
| Molecular Formula | C20H20Cl2N4O2S |
| Molecular Weight | 450.0684 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 450.0684 Da |
| Heavy Atoms | 29 |
| Complexity | 525.0 |
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=C(C(=CC=C2)Cl)C)COC3=CC=C(C=C3)Cl |
| InChIKey | PCEMUDOIJVJALZ-UHFFFAOYSA-N |
Product Description
Applications: AC1N0ETQ is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N0ETQ (CAS 861112-03-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
AC1N0ETQ (CAS 861112-03-0) is a fine chemical with the molecular formula C20H20Cl2N4O2S and a molecular weight of 450.07 g/mol. It is also known as N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and N-(3-chloro-2-methylphenyl)-2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetamide.
CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 4.6 indicates that N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)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
What is the CAS number of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 861112-03-0.
What is the molecular formula of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C20H20Cl2N4O2S.
What is the molecular weight of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 450.0684 g/mol.
What are the applications of N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
AC1N0ETQ is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1N0ETQ (CAS 861112-03-0) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Where can I buy N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(3-chloro-2-methylphenyl)-2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.