![2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide structure](/static/products/875/875006-54-5.png)
2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
TL;DR: 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide (CAS 875006-54-5) is a chemical compound with molecular formula C25H20BrN5O2S and molecular weight 533.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide
Also Known As: 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide, 2-((5-(5-Bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-cyanophenyl)acetamide, 2-[[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide, 2-[[(5Z)-5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(2,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide, 2-[[5-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-4-(2,4-dimethylphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide
| Molecular Formula | C25H20BrN5O2S |
|---|---|
| Molecular Weight | 533.05 g/mol |
| LogP | 5.62172 |
| Topological Polar Surface Area | 103.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 533.0521 |
| Heavy Atoms | 34 |
| Complexity | 1427.321 |
Chemical Identifiers
| CAS Number | 875006-54-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C#N)C4=C(C=CC(=C4)Br)O)C |
Product Overview
2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide (CAS 875006-54-5), with molecular formula C25H20BrN5O2S and molecular weight 533.05 g/mol. IUPAC: 2-[[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide.
Chemical Property Profile of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
Property Insights of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide
The XLogP value of 5.62172 indicates that 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide has 2 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-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
The CAS number of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is 875006-54-5.
What is the molecular formula of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
The molecular formula of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is C25H20BrN5O2S.
What is the molecular weight of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
The molecular weight of 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide is 533.05 g/mol.
Where can I buy 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
You can request a quote for 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(5-bromo-2-hydroxyphenyl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-cyanophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.