![N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide structure](/static/products/5886/588686-13-9.webp)
N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
TL;DR: N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 588686-13-9) is a chemical compound with molecular formula C18H20ClN7O3S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide, N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide, N-[(4-chlorophenyl)methyl]-2-{4-ethyl-5-[2-(4-nitropyrazolyl)ethyl](1,2,4-tria zol-3-ylthio)}acetamide
| Molecular Formula | C18H20ClN7O3S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 2.7073 |
| Topological Polar Surface Area | 120.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 449.1037 |
| Heavy Atoms | 30 |
| Complexity | 1019.21893 |
Chemical Identifiers
| CAS Number | 588686-13-9 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)CCN3C=C(C=N3)[N+](=O)[O-] |
Product Overview
N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide (CAS 588686-13-9), with molecular formula C18H20ClN7O3S and molecular weight 449.10 g/mol. IUPAC: N-[(4-chlorophenyl)methyl]-2-[[4-ethyl-5-[2-(4-nitropyrazol-1-yl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
Property Insights of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide
The XLogP value of 2.7073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. The TPSA of 120.77 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide. Following Lipinski's Rule of Five, N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-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-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The CAS number of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 588686-13-9.
What is the molecular formula of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular formula of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is C18H20ClN7O3S.
What is the molecular weight of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
The molecular weight of N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide is 449.10 g/mol.
Where can I buy N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
You can request a quote for N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-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-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-chlorobenzyl)-2-({4-ethyl-5-[2-(4-nitro-1H-pyrazol-1-yl)ethyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.