4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
TL;DR: 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 896846-99-4) is a chemical compound with molecular formula C26H24ClN5O4S and molecular weight 537.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide
Also Known As: 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide, 4-(2-{[5-(4-chlorophenoxymethyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzamide, 4-(2-{5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-ylthio}ac etylamino)benzamide, 4-[[2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide, 4-{[({5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzamide
| Molecular Formula | C26H24ClN5O4S |
|---|---|
| Molecular Weight | 537.12 g/mol |
| LogP | 4.7281 |
| Topological Polar Surface Area | 121.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 11 |
| Exact Mass | 537.1238 |
| Heavy Atoms | 37 |
| Complexity | 1359.4948 |
Chemical Identifiers
| CAS Number | 896846-99-4 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)N)COC4=CC=C(C=C4)Cl |
Product Overview
4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide (CAS 896846-99-4), with molecular formula C26H24ClN5O4S and molecular weight 537.12 g/mol. IUPAC: 4-[[2-[[5-[(4-chlorophenoxy)methyl]-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide.
Chemical Property Profile of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
Property Insights of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide
The XLogP value of 4.7281 indicates that 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.36 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide. Following Lipinski's Rule of Five, 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide has 2 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 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The CAS number of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 896846-99-4.
What is the molecular formula of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular formula of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is C26H24ClN5O4S.
What is the molecular weight of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
The molecular weight of 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide is 537.12 g/mol.
Where can I buy 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
You can request a quote for 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-((5-((4-chlorophenoxy)methyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.