![N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/5886/588672-73-5.webp)
N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 588672-73-5) is a chemical compound with molecular formula C18H19Cl2N7O3S and molecular weight 483.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-(2,5-dichlorophenyl)-2-({5-[2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)ethyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-(2,5-dichlorophenyl)-2-{5-[2-(3,5-dimethyl-4-nitropyrazolyl)ethyl]-4-methyl( 1,2,4-triazol-3-ylthio)}acetamide
| Molecular Formula | C18H19Cl2N7O3S |
|---|---|
| Molecular Weight | 483.06 g/mol |
| LogP | 3.81694 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 483.06473 |
| Heavy Atoms | 31 |
| Complexity | 1145.6196 |
Chemical Identifiers
| CAS Number | 588672-73-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CCC2=NN=C(N2C)SCC(=O)NC3=C(C=CC(=C3)Cl)Cl)C)[N+](=O)[O-] |
Product Overview
N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 588672-73-5), with molecular formula C18H19Cl2N7O3S and molecular weight 483.06 g/mol. IUPAC: N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 3.81694 indicates that N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide has 1 hydrogen bond donor(s) and 7 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-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 588672-73-5.
What is the molecular formula of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C18H19Cl2N7O3S.
What is the molecular weight of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 483.06 g/mol.
Where can I buy N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,5-dichlorophenyl)-2-[[5-[2-(3,5-dimethyl-4-nitropyrazol-1-yl)ethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.