4-Nitro-2-phenyl-2H-1,2,3-triazole
TL;DR: 4-Nitro-2-phenyl-2H-1,2,3-triazole (CAS 27200-08-4) is a chemical compound with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-nitro-2-phenyltriazole
Also Known As: 4-nitro-2-phenyltriazole, 4-Nitro-2-phenyl-2H-1,2,3-triazole, RefChem:295006
| Molecular Formula | C8H6N4O2 |
|---|---|
| Molecular Weight | 190.05 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 76.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 190.04907 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 27200-08-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2N=CC(=N2)[N+](=O)[O-] |
| InChIKey | YRWAJOUPZPIBAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitro-2-phenyl-2H-1,2,3-triazole (CAS 27200-08-4), with molecular formula C8H6N4O2 and molecular weight 190.05 g/mol. IUPAC: 4-nitro-2-phenyltriazole.
Chemical Property Profile of 4-Nitro-2-phenyl-2H-1,2,3-triazole
Property Insights of 4-Nitro-2-phenyl-2H-1,2,3-triazole
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitro-2-phenyl-2H-1,2,3-triazole. The TPSA of 76.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitro-2-phenyl-2H-1,2,3-triazole. Following Lipinski's Rule of Five, 4-Nitro-2-phenyl-2H-1,2,3-triazole has 0 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 4-Nitro-2-phenyl-2H-1,2,3-triazole?
The CAS number of 4-Nitro-2-phenyl-2H-1,2,3-triazole is 27200-08-4.
What is the molecular formula of 4-Nitro-2-phenyl-2H-1,2,3-triazole?
The molecular formula of 4-Nitro-2-phenyl-2H-1,2,3-triazole is C8H6N4O2.
What is the molecular weight of 4-Nitro-2-phenyl-2H-1,2,3-triazole?
The molecular weight of 4-Nitro-2-phenyl-2H-1,2,3-triazole is 190.05 g/mol.
Where can I buy 4-Nitro-2-phenyl-2H-1,2,3-triazole?
You can request a quote for 4-Nitro-2-phenyl-2H-1,2,3-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitro-2-phenyl-2H-1,2,3-triazole?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitro-2-phenyl-2H-1,2,3-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.