N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide
TL;DR: N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide (CAS 302804-95-1) is a chemical compound with molecular formula C10H9N5O4 and molecular weight 263.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide
Also Known As: ChemDiv1_010213, 2-(4-nitrophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide, N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide, 2-(4-NITROPHENOXY)-N-(4H-1,2,4-TRIAZOL-3-YL)ACETAMIDE
| Molecular Formula | C10H9N5O4 |
|---|---|
| Molecular Weight | 263.07 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 126.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 263.06546 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 302804-95-1 |
|---|---|
| SMILES | C1=CC(=CC=C1[N+](=O)[O-])OCC(=O)NC2=NC=NN2 |
| InChIKey | ZLKNIXRUIGPRTL-UHFFFAOYSA-N |
Product Overview
N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide (CAS 302804-95-1), with molecular formula C10H9N5O4 and molecular weight 263.07 g/mol. IUPAC: 2-(4-nitrophenoxy)-N-(1H-1,2,4-triazol-5-yl)acetamide.
Chemical Property Profile of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide
Property Insights of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide. The TPSA of 126.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide. Following Lipinski's Rule of Five, N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide has 2 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 N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide?
The CAS number of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide is 302804-95-1.
What is the molecular formula of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide?
The molecular formula of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide is C10H9N5O4.
What is the molecular weight of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide?
The molecular weight of N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide is 263.07 g/mol.
Where can I buy N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide?
You can request a quote for N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4H-1,2,4-triazol-3-yl)-2-(4-nitrophenoxy)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.