2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide
TL;DR: 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide (CAS 896855-76-8) is a chemical compound with molecular formula C23H28ClN5O2S and molecular weight 473.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylamino)phenyl]acetamide
Also Known As: 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-[4-(diethylamino)phenyl]acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylamino)phenyl]acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide, N-[4-(diethylamino)phenyl]-2-{5-[(4-chlorophenoxy)methyl]-4-ethyl(1,2,4-triazo l-3-ylthio)}acetamide
| Molecular Formula | C23H28ClN5O2S |
|---|---|
| Molecular Weight | 473.17 g/mol |
| LogP | 5.1074 |
| Topological Polar Surface Area | 72.28 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 473.16522 |
| Heavy Atoms | 32 |
| Complexity | 1004.23114 |
Chemical Identifiers
| CAS Number | 896855-76-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N(CC)CC)COC3=CC=C(C=C3)Cl |
Product Overview
2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide (CAS 896855-76-8), with molecular formula C23H28ClN5O2S and molecular weight 473.17 g/mol. IUPAC: 2-[[5-[(4-chlorophenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[4-(diethylamino)phenyl]acetamide.
Chemical Property Profile of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide
Property Insights of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide
The XLogP value of 5.1074 indicates that 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide has 1 hydrogen bond donor(s) and 6 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-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
The CAS number of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is 896855-76-8.
What is the molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
The molecular formula of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is C23H28ClN5O2S.
What is the molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
The molecular weight of 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is 473.17 g/mol.
Where can I buy 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
You can request a quote for 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)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-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-((4-chlorophenoxy)methyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.