ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
TL;DR: ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 896601-72-2) is a chemical compound with molecular formula C25H24N4O3S2 and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 4-(2-{[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamido)benzoate, ethyl 4-[({[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 4-[[2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ethyl 4-{2-[4-(4-methylphenyl)-5-(2-thienylmethyl)-1,2,4-triazol-3-ylthio]acet ylamino}benzoate
| Molecular Formula | C25H24N4O3S2 |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 5.13552 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.129 |
| Heavy Atoms | 34 |
| Complexity | 1250.575 |
Chemical Identifiers
| CAS Number | 896601-72-2 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)C)CC4=CC=CS4 |
Product Overview
ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 896601-72-2), with molecular formula C25H24N4O3S2 and molecular weight 492.13 g/mol. IUPAC: ethyl 4-[[2-[[4-(4-methylphenyl)-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Property Insights of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
The XLogP value of 5.13552 indicates that ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate 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 ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The CAS number of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 896601-72-2.
What is the molecular formula of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular formula of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is C25H24N4O3S2.
What is the molecular weight of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular weight of ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 492.13 g/mol.
Where can I buy ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
You can request a quote for ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 4-(2-((5-(thiophen-2-ylmethyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.