![methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/827/827010-74-2.png)
methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 827010-74-2) 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 3-[[2-[[5-(1-benzamido-2-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 3-(2-((5-(1-benzamido-2-hydroxyethyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 3-[[2-[[5-(1-benzamido-2-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C22H23N5O5S |
|---|---|
| Molecular Weight | 469.14 g/mol |
| LogP | 1.7959 |
| Topological Polar Surface Area | 135.44 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 469.142 |
| Heavy Atoms | 33 |
| Complexity | 1135.2151 |
Chemical Identifiers
| CAS Number | 827010-74-2 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC(=C2)C(=O)OC)C(CO)NC(=O)C3=CC=CC=C3 |
Product Overview
methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 827010-74-2), with molecular formula C22H23N5O5S and molecular weight 469.14 g/mol. IUPAC: methyl 3-[[2-[[5-(1-benzamido-2-hydroxyethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 1.7959 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. The TPSA of 135.44 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate has 3 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 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 827010-74-2.
What is the molecular formula of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C22H23N5O5S.
What is the molecular weight of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 469.14 g/mol.
Where can I buy methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-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 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3-({[(5-{2-hydroxy-1-[(phenylcarbonyl)amino]ethyl}-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.