ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate
TL;DR: ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate (CAS 477329-64-9) is a chemical compound with molecular formula C23H18BrN5O3S and molecular weight 523.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-[({[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Methyl 4-(2-((4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, Methyl 4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate, ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate, 647-145-1
| Molecular Formula | C23H18BrN5O3S |
|---|---|
| Molecular Weight | 523.03 g/mol |
| LogP | 4.6092 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 523.0314 |
| Heavy Atoms | 33 |
| Complexity | 1261.7687 |
Chemical Identifiers
| CAS Number | 477329-64-9 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CN=CC=C4 |
Product Overview
ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate (CAS 477329-64-9), with molecular formula C23H18BrN5O3S and molecular weight 523.03 g/mol. IUPAC: methyl 4-[[2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate
Property Insights of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate
The XLogP value of 4.6092 indicates that ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate. Following Lipinski's Rule of Five, ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate?
The CAS number of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate is 477329-64-9.
What is the molecular formula of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate?
The molecular formula of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate is C23H18BrN5O3S.
What is the molecular weight of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate?
The molecular weight of ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate is 523.03 g/mol.
Where can I buy ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate?
You can request a quote for ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)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-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-((((4-(4-BR-PH)-5-(3-Pyridinyl)4H-1,2,4-triazol-3-YL)thio)AC)amino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.