4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide
TL;DR: 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide (CAS 339027-56-4) is a chemical compound with molecular formula C10H9N5O3 and molecular weight 247.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitro-5-phenyltriazol-2-yl)acetamide
Also Known As: 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide, 2-(4-Nitro-5-phenyl-2H-1,2,3-triazol-2-yl)acetamide, 2-{4-nitro-5-phenyl-2H-1,2,3-triazol-2-yl}acetamide
| Molecular Formula | C10H9N5O3 |
|---|---|
| Molecular Weight | 247.07 g/mol |
| LogP | 0.3386 |
| Topological Polar Surface Area | 116.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 247.07054 |
| Heavy Atoms | 18 |
| Complexity | 592.81555 |
Chemical Identifiers
| CAS Number | 339027-56-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NN(N=C2[N+](=O)[O-])CC(=O)N |
Product Overview
4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide (CAS 339027-56-4), with molecular formula C10H9N5O3 and molecular weight 247.07 g/mol. IUPAC: 2-(4-nitro-5-phenyltriazol-2-yl)acetamide.
Chemical Property Profile of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide
Property Insights of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide
The XLogP value of 0.3386 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide. The TPSA of 116.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide. Following Lipinski's Rule of Five, 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide has 1 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 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide?
The CAS number of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide is 339027-56-4.
What is the molecular formula of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide?
The molecular formula of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide is C10H9N5O3.
What is the molecular weight of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide?
The molecular weight of 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide is 247.07 g/mol.
Where can I buy 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide?
You can request a quote for 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-5-phenyl-2H-1,2,3-triazole-2-acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.