N-(2-Chloroethyldiazenyl)-4-nitro-aniline
TL;DR: N-(2-Chloroethyldiazenyl)-4-nitro-aniline (CAS 78604-31-6) 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)-4-nitroaniline
Also Known As: N-(2-chloroethyldiazenyl)-4-nitroaniline, N-(2-CHLOROETHYLDIAZENYL)-4-NITRO-ANILINE, (1E)-1-(2-Chloroethyl)-3-(4-nitrophenyl)triaz-1-ene, RefChem:360602
| Molecular Formula | C8H9ClN4O2 |
|---|---|
| Molecular Weight | 228.04 g/mol |
| LogP | 2.7 |
| 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 | 223.0 |
Chemical Identifiers
| CAS Number | 78604-31-6 |
|---|---|
| SMILES | C1=CC(=CC=C1NN=NCCCl)[N+](=O)[O-] |
| InChIKey | BTGNUWUGMKPDQE-UHFFFAOYSA-N |
Product Overview
N-(2-Chloroethyldiazenyl)-4-nitro-aniline (CAS 78604-31-6), with molecular formula C8H9ClN4O2 and molecular weight 228.04 g/mol. IUPAC: N-(2-chloroethyldiazenyl)-4-nitroaniline.
Chemical Property Profile of N-(2-Chloroethyldiazenyl)-4-nitro-aniline
Property Insights of N-(2-Chloroethyldiazenyl)-4-nitro-aniline
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(2-Chloroethyldiazenyl)-4-nitro-aniline. The TPSA of 82.6 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2-Chloroethyldiazenyl)-4-nitro-aniline. Following Lipinski's Rule of Five, N-(2-Chloroethyldiazenyl)-4-nitro-aniline 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 N-(2-Chloroethyldiazenyl)-4-nitro-aniline?
The CAS number of N-(2-Chloroethyldiazenyl)-4-nitro-aniline is 78604-31-6.
What is the molecular formula of N-(2-Chloroethyldiazenyl)-4-nitro-aniline?
The molecular formula of N-(2-Chloroethyldiazenyl)-4-nitro-aniline is C8H9ClN4O2.
What is the molecular weight of N-(2-Chloroethyldiazenyl)-4-nitro-aniline?
The molecular weight of N-(2-Chloroethyldiazenyl)-4-nitro-aniline is 228.04 g/mol.
Where can I buy N-(2-Chloroethyldiazenyl)-4-nitro-aniline?
You can request a quote for N-(2-Chloroethyldiazenyl)-4-nitro-aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(2-Chloroethyldiazenyl)-4-nitro-aniline?
Yes, KEHONG BIO provides custom synthesis services for N-(2-Chloroethyldiazenyl)-4-nitro-aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.