![2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide structure](/static/products/6132/613226-98-5.webp)
2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
TL;DR: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CAS 613226-98-5) is a chemical compound with molecular formula C23H19BrClN5O2S and molecular weight 543.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide, 2-((4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide, 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide, 2-[4-(4-bromophenyl)-5-(4-pyridyl)(1,2,4-triazol-3-ylthio)]-N-(4-chloro-2-meth oxy-5-methylphenyl)acetamide, 2-{[4-(4-bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
| Molecular Formula | C23H19BrClN5O2S |
|---|---|
| Molecular Weight | 543.01 g/mol |
| LogP | 5.79302 |
| Topological Polar Surface Area | 81.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 543.0131 |
| Heavy Atoms | 33 |
| Complexity | 1282.2638 |
Chemical Identifiers
| CAS Number | 613226-98-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1Cl)OC)NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Br)C4=CC=NC=C4 |
Product Overview
2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide (CAS 613226-98-5), with molecular formula C23H19BrClN5O2S and molecular weight 543.01 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide.
Chemical Property Profile of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
Property Insights of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide
The XLogP value of 5.79302 indicates that 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide 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 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The CAS number of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is 613226-98-5.
What is the molecular formula of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The molecular formula of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is C23H19BrClN5O2S.
What is the molecular weight of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
The molecular weight of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide is 543.01 g/mol.
Where can I buy 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
You can request a quote for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-chloro-2-methoxy-5-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.