![2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide structure](/static/products/896/896303-22-3.png)
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
TL;DR: 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide (CAS 896303-22-3) is a chemical compound with molecular formula C23H23N5OS and molecular weight 417.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethylphenyl)acetamide
Also Known As: 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide, F2563-0615, 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethylphenyl)acetamide, 2-((5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-ethylphenyl)acetamide
| Molecular Formula | C23H23N5OS |
|---|---|
| Molecular Weight | 417.16 g/mol |
| LogP | 4.275 |
| Topological Polar Surface Area | 64.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.16232 |
| Heavy Atoms | 30 |
| Complexity | 1105.851 |
Chemical Identifiers
| CAS Number | 896303-22-3 |
|---|---|
| SMILES | CCC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2N3C=CC=C3)CC4=CC=CC=C4 |
Product Overview
2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide (CAS 896303-22-3), with molecular formula C23H23N5OS and molecular weight 417.16 g/mol. IUPAC: 2-[(5-benzyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethylphenyl)acetamide.
Chemical Property Profile of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
Property Insights of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide
The XLogP value of 4.275 indicates that 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide has 1 hydrogen bond donor(s) and 4 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-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide?
The CAS number of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide is 896303-22-3.
What is the molecular formula of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide?
The molecular formula of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide is C23H23N5OS.
What is the molecular weight of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide?
The molecular weight of 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide is 417.16 g/mol.
Where can I buy 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide?
You can request a quote for 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)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-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-benzyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-ethylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.