methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
TL;DR: methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 500265-52-1) 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 2-[[2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-[({[5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-[[2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C19H19N5O3S |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 2.5817 |
| Topological Polar Surface Area | 112.13 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.12085 |
| Heavy Atoms | 28 |
| Complexity | 1018.30865 |
Chemical Identifiers
| CAS Number | 500265-52-1 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C(=O)OC)C3=CC(=CC=C3)N |
Product Overview
methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate (CAS 500265-52-1), with molecular formula C19H19N5O3S and molecular weight 397.12 g/mol. IUPAC: methyl 2-[[2-[[5-(3-aminophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
Property Insights of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate
The XLogP value of 2.5817 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate. The TPSA of 112.13 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate. Following Lipinski's Rule of Five, methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)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 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The CAS number of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 500265-52-1.
What is the molecular formula of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular formula of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is C19H19N5O3S.
What is the molecular weight of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
The molecular weight of methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate is 397.12 g/mol.
Where can I buy methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
You can request a quote for methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-(2-((5-(3-aminophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.