![methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate structure](/static/products/6932/693235-83-5.webp)
methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
TL;DR: methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 693235-83-5) is a chemical compound with molecular formula C24H27N5O4S and molecular weight 481.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(1-benzamido-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate, methyl 4-(2-((5-(1-benzamido-2-methylpropyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[[5-(1-benzamido-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, METHYL 4-[2-({4-METHYL-5-[2-METHYL-1-(PHENYLFORMAMIDO)PROPYL]-1,2,4-TRIAZOL-3-YL}SULFANYL)ACETAMIDO]BENZOATE
| Molecular Formula | C24H27N5O4S |
|---|---|
| Molecular Weight | 481.18 g/mol |
| LogP | 3.4596 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 481.17838 |
| Heavy Atoms | 34 |
| Complexity | 1145.9298 |
Chemical Identifiers
| CAS Number | 693235-83-5 |
|---|---|
| SMILES | CC(C)C(C1=NN=C(N1C)SCC(=O)NC2=CC=C(C=C2)C(=O)OC)NC(=O)C3=CC=CC=C3 |
Product Overview
methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate (CAS 693235-83-5), with molecular formula C24H27N5O4S and molecular weight 481.18 g/mol. IUPAC: methyl 4-[[2-[[5-(1-benzamido-2-methylpropyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
Property Insights of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate
The XLogP value of 3.4596 indicates that methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.21 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate. Following Lipinski's Rule of Five, methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate has 2 hydrogen bond donor(s) and 7 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-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The CAS number of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 693235-83-5.
What is the molecular formula of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular formula of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is C24H27N5O4S.
What is the molecular weight of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
The molecular weight of methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate is 481.18 g/mol.
Where can I buy methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
You can request a quote for methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-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-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-4H-1,2,4-triazol-3-yl)sulfanyl]acetyl}amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-({[(4-methyl-5-{2-methyl-1-[(phenylcarbonyl)amino]propyl}-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.