5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
TL;DR: 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole (CAS 4057-66-3) is a chemical compound with molecular formula C14H10N4O2 and molecular weight 266.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
Also Known As: 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole, 1H-1,2,4-Triazole, 3-(4-nitrophenyl)-5-phenyl-, 3-(4-NITROPHENYL)-5-PHENYL-1H-1,2,4-TRIAZOLE, J1.880.612F, 3-(4-nitrophenyl)-5-phenyl-4H-1,2,4-triazole
| Molecular Formula | C14H10N4O2 |
|---|---|
| Molecular Weight | 266.08 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 87.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.08038 |
| Heavy Atoms | 20 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 4057-66-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)C2=NNC(=N2)C3=CC=C(C=C3)[N+](=O)[O-] |
| InChIKey | CWVXCNAGIMKZGF-UHFFFAOYSA-N |
Product Overview
5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole (CAS 4057-66-3), with molecular formula C14H10N4O2 and molecular weight 266.08 g/mol. IUPAC: 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
Property Insights of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole
The XLogP value of 3.1 indicates that 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole 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 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole?
The CAS number of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole is 4057-66-3.
What is the molecular formula of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole?
The molecular formula of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole is C14H10N4O2.
What is the molecular weight of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole?
The molecular weight of 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole is 266.08 g/mol.
Where can I buy 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole?
You can request a quote for 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-nitrophenyl)-3-phenyl-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.