![N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/896/896285-31-7.png)
N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896285-31-7) is a chemical compound with molecular formula C16H17N5OS and molecular weight 327.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,6-dimethylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, F2563-0021, 2-((4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2,6-dimethylphenyl)acetamide, N-(2,6-dimethylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
| Molecular Formula | C16H17N5OS |
|---|---|
| Molecular Weight | 327.12 g/mol |
| LogP | 2.73864 |
| Topological Polar Surface Area | 64.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 327.1154 |
| Heavy Atoms | 23 |
| Complexity | 789.50226 |
Chemical Identifiers
| CAS Number | 896285-31-7 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)C)NC(=O)CSC2=NN=CN2N3C=CC=C3 |
Product Overview
N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 896285-31-7), with molecular formula C16H17N5OS and molecular weight 327.12 g/mol. IUPAC: N-(2,6-dimethylphenyl)-2-[(4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 2.73864 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 64.74 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}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 N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 896285-31-7.
What is the molecular formula of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C16H17N5OS.
What is the molecular weight of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 327.12 g/mol.
Where can I buy N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,6-dimethylphenyl)-2-{[4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.