![[(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile structure](/static/products/6547/65479-07-4.webp)
[(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile
TL;DR: [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile (CAS 65479-07-4) is a chemical compound with molecular formula C8H7N5O2 and molecular weight 205.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-nitroanilino)diazenyl]acetonitrile
Also Known As: 2-[(4-nitroanilino)diazenyl]acetonitrile, 2-[(4-Nitrophenyl)amino]diazenylacetonitrile, [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile
| Molecular Formula | C8H7N5O2 |
|---|---|
| Molecular Weight | 205.06 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 106.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 205.05997 |
| Heavy Atoms | 15 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 65479-07-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NN=NCC#N)[N+](=O)[O-] |
| InChIKey | AEQRSZGMHTVBEV-UHFFFAOYSA-N |
Product Overview
[(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile (CAS 65479-07-4), with molecular formula C8H7N5O2 and molecular weight 205.06 g/mol. IUPAC: 2-[(4-nitroanilino)diazenyl]acetonitrile.
Chemical Property Profile of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile
Property Insights of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile. The TPSA of 106.0 Ų falls within the moderate polarity range, balancing permeability and solubility for [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile. Following Lipinski's Rule of Five, [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile 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)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile?
The CAS number of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile is 65479-07-4.
What is the molecular formula of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile?
The molecular formula of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile is C8H7N5O2.
What is the molecular weight of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile?
The molecular weight of [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile is 205.06 g/mol.
Where can I buy [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile?
You can request a quote for [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile?
Yes, KEHONG BIO provides custom synthesis services for [(1E)-3-(4-Nitrophenyl)triaz-1-en-1-yl]acetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.