![methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate structure](/static/products/6944/694462-92-5.webp)
methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate
TL;DR: methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate (CAS 694462-92-5) is a chemical compound with molecular formula C19H16BrClN4O3S and molecular weight 493.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chlorobenzoate
Also Known As: methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate, methyl 5-(2-((5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamido)-2-chlorobenzoate, methyl 5-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chlorobenzoate
| Molecular Formula | C19H16BrClN4O3S |
|---|---|
| Molecular Weight | 493.98 g/mol |
| LogP | 4.4154 |
| Topological Polar Surface Area | 86.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 493.9815 |
| Heavy Atoms | 29 |
| Complexity | 1056.1079 |
Chemical Identifiers
| CAS Number | 694462-92-5 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)Cl)C(=O)OC)C3=CC=C(C=C3)Br |
Product Overview
methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate (CAS 694462-92-5), with molecular formula C19H16BrClN4O3S and molecular weight 493.98 g/mol. IUPAC: methyl 5-[[2-[[5-(4-bromophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]-2-chlorobenzoate.
Chemical Property Profile of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate
Property Insights of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate
The XLogP value of 4.4154 indicates that methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate 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 methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate. Following Lipinski's Rule of Five, methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate has 1 hydrogen bond donor(s) and 6 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 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate?
The CAS number of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate is 694462-92-5.
What is the molecular formula of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate?
The molecular formula of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate is C19H16BrClN4O3S.
What is the molecular weight of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate?
The molecular weight of methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate is 493.98 g/mol.
Where can I buy methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate?
You can request a quote for methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 5-[({[5-(4-bromophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]-2-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.