ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
TL;DR: ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate (CAS 482639-72-5) is a chemical compound with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02071305, methyl 4-[2-(4-ethyl-5-(4-pyridyl)-1,2,4-triazol-3-ylthio)acetylamino]benzoate, methyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate, ME 4-((((4-ET-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETYL)AMINO)BENZOATE, Methyl 4-(2-((4-ethyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.8774 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 957.46027 |
Chemical Identifiers
| CAS Number | 482639-72-5 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)C(=O)OC)C3=CC=NC=C3 |
Product Overview
ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate (CAS 482639-72-5), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: methyl 4-[[2-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
Property Insights of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate
The XLogP value of 2.8774 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate. Following Lipinski's Rule of Five, ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate has 1 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 ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
The CAS number of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is 482639-72-5.
What is the molecular formula of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
The molecular formula of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is C19H19N5O3S.
What is the molecular weight of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
The molecular weight of ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate is 397.12 g/mol.
Where can I buy ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
You can request a quote for ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)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 ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-((((4-ET-5-(4-Pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetyl)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.