1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-
TL;DR: 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- (CAS 78604-34-9) is a chemical compound with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-chloroethyldiazenyl)-2-nitroaniline
Also Known As: N-(2-chloroethyldiazenyl)-2-nitroaniline, 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-, (1E)-1-(2-Chloroethyl)-3-(2-nitrophenyl)triaz-1-ene, RefChem:235514
| Molecular Formula | C8H9ClN4O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 82.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 228.0414 |
| Heavy Atoms | 15 |
| Complexity | 231.0 |
Chemical Identifiers
| CAS Number | 78604-34-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)NN=NCCCl)[N+](=O)[O-] |
| InChIKey | FNODCRRTMGWIAG-UHFFFAOYSA-N |
Product Overview
1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- (CAS 78604-34-9), with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol. IUPAC: N-(2-chloroethyldiazenyl)-2-nitroaniline.
Chemical Property Profile of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-
Property Insights of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-
The XLogP value of 3.2 indicates that 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-. Following Lipinski's Rule of Five, 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- 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 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-?
The CAS number of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- is 78604-34-9.
What is the molecular formula of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-?
The molecular formula of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- is C8H9ClN4O2.
What is the molecular weight of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-?
The molecular weight of 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- is 228.04 g/mol.
Where can I buy 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-?
You can request a quote for 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1-Triazene, 1-(2-chloroethyl)-3-(2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.