![1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole structure](/static/products/6764/676475-07-3.webp)
1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole
TL;DR: 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole (CAS 676475-07-3) is a chemical compound with molecular formula C9H7FN4O2 and molecular weight 222.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2-fluorophenyl)methyl]-3-nitro-1,2,4-triazole
Also Known As: 1-[(2-fluorophenyl)methyl]-3-nitro-1,2,4-triazole, 1-(2-fluorobenzyl)-3-nitro-1H-1,2,4-triazole
| Molecular Formula | C9H7FN4O2 |
|---|---|
| Molecular Weight | 222.06 g/mol |
| LogP | 1.3737 |
| Topological Polar Surface Area | 73.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 222.0553 |
| Heavy Atoms | 16 |
| Complexity | 525.7325 |
Chemical Identifiers
| CAS Number | 676475-07-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C=NC(=N2)[N+](=O)[O-])F |
Product Overview
1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole (CAS 676475-07-3), with molecular formula C9H7FN4O2 and molecular weight 222.06 g/mol. IUPAC: 1-[(2-fluorophenyl)methyl]-3-nitro-1,2,4-triazole.
Chemical Property Profile of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole
Property Insights of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole
The XLogP value of 1.3737 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole. The TPSA of 73.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole. Following Lipinski's Rule of Five, 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-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 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole?
The CAS number of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole is 676475-07-3.
What is the molecular formula of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole?
The molecular formula of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole is C9H7FN4O2.
What is the molecular weight of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole?
The molecular weight of 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole is 222.06 g/mol.
Where can I buy 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole?
You can request a quote for 1-[(2-Fluorophenyl)methyl]-3-nitro-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 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Fluorophenyl)methyl]-3-nitro-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.