2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide
TL;DR: 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 337498-41-6) is a chemical compound with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide
Also Known As: BAS 01337651, 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide, 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide, 2-[5-(4-Methoxy-phenyl)-2H-[1,2,4]triazol-3-ylsulfanyl]-N-(4-nitro-phenyl)-acetamide, 2-{[5-(4-methoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-nitrophenyl)acetamide
| Molecular Formula | C17H15N5O4S |
|---|---|
| Molecular Weight | 385.08 g/mol |
| LogP | 3.1193 |
| Topological Polar Surface Area | 123.04 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 385.08447 |
| Heavy Atoms | 27 |
| Complexity | 940.7174 |
Chemical Identifiers
| CAS Number | 337498-41-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2)SCC(=O)NC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide (CAS 337498-41-6), with molecular formula C17H15N5O4S and molecular weight 385.08 g/mol. IUPAC: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-(4-nitrophenyl)acetamide.
Chemical Property Profile of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide
Property Insights of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide
The XLogP value of 3.1193 indicates that 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide. Following Lipinski's Rule of Five, 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide has 2 hydrogen bond donor(s) and 7 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-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide?
The CAS number of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide is 337498-41-6.
What is the molecular formula of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide?
The molecular formula of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide is C17H15N5O4S.
What is the molecular weight of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide?
The molecular weight of 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide is 385.08 g/mol.
Where can I buy 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide?
You can request a quote for 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-(4-Methoxyphenyl)-1H-1,2,4-triazol-5-yl)thio)-N-(4-nitrophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.