![methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/7929/792941-60-7.webp)
methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 792941-60-7) is a chemical compound with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-[2-(3-methoxyanilino)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((5-(2-((3-methoxyphenyl)amino)-2-oxoethyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-[2-(3-methoxyanilino)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 2.5223 |
| Topological Polar Surface Area | 124.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 1146.3333 |
Chemical Identifiers
| CAS Number | 792941-60-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)CC(=O)NC3=CC(=CC=C3)OC |
Product Overview
methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 792941-60-7), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: methyl 4-[[2-[[5-[2-(3-methoxyanilino)-2-oxoethyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 2.5223 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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 methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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 methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 792941-60-7.
What is the molecular formula of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C22H23N5O5S.
What is the molecular weight of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 469.14 g/mol.
Where can I buy methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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 methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(5-{2-[(3-methoxyphenyl)amino]-2-oxoethyl}-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.