![2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide structure](/static/products/848/848225-35-4.png)
2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide
TL;DR: 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide (CAS 848225-35-4) is a chemical compound with molecular formula C21H22BrN5O2S and molecular weight 487.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
Also Known As: 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide, 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide
| Molecular Formula | C21H22BrN5O2S |
|---|---|
| Molecular Weight | 487.07 g/mol |
| LogP | 4.49548 |
| Topological Polar Surface Area | 96.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 487.06775 |
| Heavy Atoms | 30 |
| Complexity | 1057.0387 |
Chemical Identifiers
| CAS Number | 848225-35-4 |
|---|---|
| SMILES | CC(C)C(C)(C#N)NC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=C(O3)Br |
Product Overview
2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide (CAS 848225-35-4), with molecular formula C21H22BrN5O2S and molecular weight 487.07 g/mol. IUPAC: 2-[[4-benzyl-5-(5-bromofuran-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)acetamide.
Chemical Property Profile of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide
Property Insights of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide
The XLogP value of 4.49548 indicates that 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide 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 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide?
The CAS number of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide is 848225-35-4.
What is the molecular formula of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide?
The molecular formula of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide is C21H22BrN5O2S.
What is the molecular weight of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide?
The molecular weight of 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide is 487.07 g/mol.
Where can I buy 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide?
You can request a quote for 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)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-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-benzyl-5-(5-bromofuran-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(1-cyano-1,2-dimethylpropyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.