1-Azido-4-nitrobenzene
TL;DR: 1-Azido-4-nitrobenzene (CAS 13113-75-2) is a chemical compound with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-azido-4-nitrobenzene
Also Known As: 1-Azido-4-nitrobenzene, 4-Nitrophenyl azide, p-Azidonitrobenzene, p-Nitrophenyl azide, Benzene, 1-azido-4-nitro-
| Molecular Formula | C6H4N4O2 |
|---|---|
| Molecular Weight | 164.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 164.03343 |
| Heavy Atoms | 12 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 13113-75-2 |
|---|---|
| SMILES | C1=CC(=CC=C1N=[N+]=[N-])[N+](=O)[O-] |
| InChIKey | CZZVSJPFJBUBDK-UHFFFAOYSA-N |
Product Overview
1-Azido-4-nitrobenzene (CAS 13113-75-2), with molecular formula C6H4N4O2 and molecular weight 164.03 g/mol. IUPAC: 1-azido-4-nitrobenzene.
Chemical Property Profile of 1-Azido-4-nitrobenzene
Property Insights of 1-Azido-4-nitrobenzene
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Azido-4-nitrobenzene. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Azido-4-nitrobenzene. Following Lipinski's Rule of Five, 1-Azido-4-nitrobenzene 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-Azido-4-nitrobenzene?
The CAS number of 1-Azido-4-nitrobenzene is 13113-75-2.
What is the molecular formula of 1-Azido-4-nitrobenzene?
The molecular formula of 1-Azido-4-nitrobenzene is C6H4N4O2.
What is the molecular weight of 1-Azido-4-nitrobenzene?
The molecular weight of 1-Azido-4-nitrobenzene is 164.03 g/mol.
Where can I buy 1-Azido-4-nitrobenzene?
You can request a quote for 1-Azido-4-nitrobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Azido-4-nitrobenzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Azido-4-nitrobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.