![methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate structure](/static/products/7019/701927-70-0.webp)
methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
TL;DR: methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 701927-70-0) is a chemical compound with molecular formula C26H22ClN5O4S and molecular weight 535.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate, methyl 2-(2-((5-((4-chlorobenzamido)methyl)-4-phenyl-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 2-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C26H22ClN5O4S |
|---|---|
| Molecular Weight | 535.11 g/mol |
| LogP | 4.3681 |
| Topological Polar Surface Area | 115.21 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 535.1081 |
| Heavy Atoms | 37 |
| Complexity | 1410.2565 |
Chemical Identifiers
| CAS Number | 701927-70-0 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Cl |
Product Overview
methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate (CAS 701927-70-0), with molecular formula C26H22ClN5O4S and molecular weight 535.11 g/mol. IUPAC: methyl 2-[[2-[[5-[[(4-chlorobenzoyl)amino]methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
Property Insights of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate
The XLogP value of 4.3681 indicates that methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-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 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate. Following Lipinski's Rule of Five, methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate has 2 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 methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The CAS number of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 701927-70-0.
What is the molecular formula of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular formula of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is C26H22ClN5O4S.
What is the molecular weight of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
The molecular weight of methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate is 535.11 g/mol.
Where can I buy methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
You can request a quote for methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-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 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-[({[5-({[(4-chlorophenyl)carbonyl]amino}methyl)-4-phenyl-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.