(1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene
TL;DR: (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene (CAS 78604-33-8) is a chemical compound with molecular formula C8H9FN4O2 and molecular weight 212.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluoroethyldiazenyl)-2-nitroaniline
Also Known As: N-(2-fluoroethyldiazenyl)-2-nitroaniline, N-(2-fluoroethyldiazenyl)-2-nitro-aniline, (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene, RefChem:204802
| Molecular Formula | C8H9FN4O2 |
|---|---|
| Molecular Weight | 212.07 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 212.07095 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 78604-33-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NN=NCCF)[N+](=O)[O-] |
| InChIKey | NLFGLBGSOTVMQC-UHFFFAOYSA-N |
Product Overview
(1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene (CAS 78604-33-8), with molecular formula C8H9FN4O2 and molecular weight 212.07 g/mol. IUPAC: N-(2-fluoroethyldiazenyl)-2-nitroaniline.
Chemical Property Profile of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene
Property Insights of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene. Following Lipinski's Rule of Five, (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene has 1 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 (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene?
The CAS number of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene is 78604-33-8.
What is the molecular formula of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene?
The molecular formula of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene is C8H9FN4O2.
What is the molecular weight of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene?
The molecular weight of (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene is 212.07 g/mol.
Where can I buy (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene?
You can request a quote for (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene?
Yes, KEHONG BIO provides custom synthesis services for (1E)-1-(2-Fluoroethyl)-3-(2-nitrophenyl)triaz-1-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.