![2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide structure](/static/products/5870/587010-54-6.webp)
2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
TL;DR: 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide (CAS 587010-54-6) is a chemical compound with molecular formula C21H19N5OS and molecular weight 389.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide
Also Known As: 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide, 2-((4-amino-5-(m-tolyl)-4H-1,2,4-triazol-3-yl)thio)-N-(naphthalen-1-yl)acetamide, 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide, 2-[4-amino-5-(3-methylphenyl)(1,2,4-triazol-3-ylthio)]-N-naphthylacetamide
| Molecular Formula | C21H19N5OS |
|---|---|
| Molecular Weight | 389.13 g/mol |
| LogP | 3.85132 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.13104 |
| Heavy Atoms | 28 |
| Complexity | 1149.2172 |
Chemical Identifiers
| CAS Number | 587010-54-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C2=NN=C(N2N)SCC(=O)NC3=CC=CC4=CC=CC=C43 |
Product Overview
2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide (CAS 587010-54-6), with molecular formula C21H19N5OS and molecular weight 389.13 g/mol. IUPAC: 2-[[4-amino-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-naphthalen-1-ylacetamide.
Chemical Property Profile of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
Property Insights of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide
The XLogP value of 3.85132 indicates that 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide. Following Lipinski's Rule of Five, 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide has 2 hydrogen bond donor(s) and 5 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-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
The CAS number of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is 587010-54-6.
What is the molecular formula of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
The molecular formula of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is C21H19N5OS.
What is the molecular weight of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
The molecular weight of 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide is 389.13 g/mol.
Where can I buy 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
You can request a quote for 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)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-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-amino-5-(3-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(naphthalen-1-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.