![methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate structure](/static/products/6184/618441-33-1.webp)
methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
TL;DR: methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate (CAS 618441-33-1) is a chemical compound with molecular formula C26H23BrN4O4S and molecular weight 566.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
Also Known As: methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate, 644-807-1, Methyl 4-((((4-(2-bromophenyl)-5-((4-methylphenoxy)methyl)-4H-1,2,4-triazol-3-YL)sulfanyl)acetyl)amino)benzoate, Methyl 4-(2-((4-(2-bromophenyl)-5-((p-tolyloxy)methyl)-4H-1,2,4-triazol-3-yl)thio)acetamido)benzoate, methyl 4-[[2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate
| Molecular Formula | C26H23BrN4O4S |
|---|---|
| Molecular Weight | 566.06 g/mol |
| LogP | 5.43462 |
| Topological Polar Surface Area | 95.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 566.0623 |
| Heavy Atoms | 36 |
| Complexity | 1357.3842 |
Chemical Identifiers
| CAS Number | 618441-33-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)OCC2=NN=C(N2C3=CC=CC=C3Br)SCC(=O)NC4=CC=C(C=C4)C(=O)OC |
Product Overview
methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate (CAS 618441-33-1), with molecular formula C26H23BrN4O4S and molecular weight 566.06 g/mol. IUPAC: methyl 4-[[2-[[4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzoate.
Chemical Property Profile of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
Property Insights of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate
The XLogP value of 5.43462 indicates that methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-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 95.34 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate. Following Lipinski's Rule of Five, methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]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 methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate?
The CAS number of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate is 618441-33-1.
What is the molecular formula of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate?
The molecular formula of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate is C26H23BrN4O4S.
What is the molecular weight of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate?
The molecular weight of methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate is 566.06 g/mol.
Where can I buy methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate?
You can request a quote for methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-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 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl}sulfanyl)acetyl]amino}benzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 4-{[({4-(2-bromophenyl)-5-[(4-methylphenoxy)methyl]-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.