![2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide structure](/static/products/5886/588684-32-6.webp)
2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
TL;DR: 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide (CAS 588684-32-6) is a chemical compound with molecular formula C25H21BrClN5O4S and molecular weight 601.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
Also Known As: 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide, 2-(5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl(1,2,4-triazol-3-ylthio))-N-(4- chloro-3-nitrophenyl)acetamide, 2-[(5-{3-[(2-bromophenoxy)methyl]phenyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
| Molecular Formula | C25H21BrClN5O4S |
|---|---|
| Molecular Weight | 601.02 g/mol |
| LogP | 6.5989 |
| Topological Polar Surface Area | 112.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 601.0186 |
| Heavy Atoms | 37 |
| Complexity | 1448.3617 |
Chemical Identifiers
| CAS Number | 588684-32-6 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-])C3=CC=CC(=C3)COC4=CC=CC=C4Br |
Product Overview
2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide (CAS 588684-32-6), with molecular formula C25H21BrClN5O4S and molecular weight 601.02 g/mol. IUPAC: 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide.
Chemical Property Profile of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
Property Insights of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide
The XLogP value of 6.5989 indicates that 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 112.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide?
The CAS number of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide is 588684-32-6.
What is the molecular formula of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide?
The molecular formula of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide is C25H21BrClN5O4S.
What is the molecular weight of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide?
The molecular weight of 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide is 601.02 g/mol.
Where can I buy 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide?
You can request a quote for 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-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-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[5-[3-[(2-bromophenoxy)methyl]phenyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-3-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.