![ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7019/701925-89-5.webp)
ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 701925-89-5) is a chemical compound with molecular formula C24H27N5O5S and molecular weight 497.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-[[2-[[5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, ethyl 3-(2-((5-((2-(4-methoxyphenyl)acetamido)methyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ethyl 3-[[2-[[5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C24H27N5O5S |
|---|---|
| Molecular Weight | 497.17 g/mol |
| LogP | 2.5901 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 497.17328 |
| Heavy Atoms | 35 |
| Complexity | 1179.3029 |
Chemical Identifiers
| CAS Number | 701925-89-5 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C)CNC(=O)CC3=CC=C(C=C3)OC |
Product Overview
ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 701925-89-5), with molecular formula C24H27N5O5S and molecular weight 497.17 g/mol. IUPAC: ethyl 3-[[2-[[5-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 2.5901 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. The TPSA of 124.44 Ų falls within the moderate polarity range, balancing permeability and solubility for ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate has 2 hydrogen bond donor(s) and 8 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 ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 701925-89-5.
What is the molecular formula of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C24H27N5O5S.
What is the molecular weight of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 497.17 g/mol.
Where can I buy ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl 3-[({[5-({[(4-methoxyphenyl)acetyl]amino}methyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.