![2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide structure](/static/products/5886/588684-90-6.webp)
2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
TL;DR: 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide (CAS 588684-90-6) is a chemical compound with molecular formula C21H20ClN5O3S and molecular weight 457.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide
Also Known As: 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide, 2-[[5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide, 2-{5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl(1,2,4-triazol-3-ylthio)}-N-(3-nit rophenyl)acetamide
| Molecular Formula | C21H20ClN5O3S |
|---|---|
| Molecular Weight | 457.10 g/mol |
| LogP | 4.8615 |
| Topological Polar Surface Area | 102.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 457.09753 |
| Heavy Atoms | 31 |
| Complexity | 1118.4579 |
Chemical Identifiers
| CAS Number | 588684-90-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)[N+](=O)[O-])C3CC3C4=CC=C(C=C4)Cl |
Product Overview
2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide (CAS 588684-90-6), with molecular formula C21H20ClN5O3S and molecular weight 457.10 g/mol. IUPAC: 2-[[5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-nitrophenyl)acetamide.
Chemical Property Profile of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Property Insights of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
The XLogP value of 4.8615 indicates that 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 102.95 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 6 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 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
The CAS number of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is 588684-90-6.
What is the molecular formula of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
The molecular formula of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is C21H20ClN5O3S.
What is the molecular weight of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
The molecular weight of 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide is 457.10 g/mol.
Where can I buy 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
You can request a quote for 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-({5-[2-(4-chlorophenyl)cyclopropyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.