ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate
TL;DR: ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate (CAS 332947-83-8) is a chemical compound with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: BAS 02053425, methyl 4-[({[5-(4-chlorophenyl)-4-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, Methyl 4-(2-((5-(4-chlorophenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-TRIAZOL-3-YL)THIO)AC)AMINO)BENZOATE, methyl 4-[[2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C25H21ClN4O3S |
|---|---|
| Molecular Weight | 492.10 g/mol |
| LogP | 5.41352 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 492.1023 |
| Heavy Atoms | 34 |
| Complexity | 1303.7576 |
Chemical Identifiers
| CAS Number | 332947-83-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)C(=O)OC)C4=CC=C(C=C4)Cl |
Product Overview
ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate (CAS 332947-83-8), with molecular formula C25H21ClN4O3S and molecular weight 492.10 g/mol. IUPAC: methyl 4-[[2-[[5-(4-chlorophenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate
Property Insights of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate
The XLogP value of 5.41352 indicates that ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-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 86.11 Ų falls within the moderate polarity range, balancing permeability and solubility for ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate. Following Lipinski's Rule of Five, ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate has 1 hydrogen bond donor(s) and 6 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-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate?
The CAS number of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate is 332947-83-8.
What is the molecular formula of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate?
The molecular formula of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate is C25H21ClN4O3S.
What is the molecular weight of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate?
The molecular weight of ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate is 492.10 g/mol.
Where can I buy ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate?
You can request a quote for ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-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-((((5-(4-CL-PH)-4-(4-ME-PH)-4H-1,2,4-Triazol-3-YL)thio)AC)amino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for ME 4-((((5-(4-CL-PH)-4-(4-ME-PH)-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.