3-Nitroazobenzene
TL;DR: 3-Nitroazobenzene (CAS 15516-68-4) is a chemical compound with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-nitrophenyl)-phenyldiazene
Also Known As: 3-nitroazobenzene, m-Nitroazobenzol, (E)-3-Nitroazobenzene, (e)-1-(3-nitrophenyl)-2-phenyldiazene, 1-(3-nitrophenyl)-2-phenyldiazene
| Molecular Formula | C12H9N3O2 |
|---|---|
| Molecular Weight | 227.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 70.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 227.06947 |
| Heavy Atoms | 17 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 15516-68-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N=NC2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | YDVWTPOYERGSCU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Nitroazobenzene (CAS 15516-68-4), with molecular formula C12H9N3O2 and molecular weight 227.07 g/mol. IUPAC: (3-nitrophenyl)-phenyldiazene.
Chemical Property Profile of 3-Nitroazobenzene
Property Insights of 3-Nitroazobenzene
The XLogP value of 3.9 indicates that 3-Nitroazobenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitroazobenzene. Following Lipinski's Rule of Five, 3-Nitroazobenzene 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 3-Nitroazobenzene?
The CAS number of 3-Nitroazobenzene is 15516-68-4.
What is the molecular formula of 3-Nitroazobenzene?
The molecular formula of 3-Nitroazobenzene is C12H9N3O2.
What is the molecular weight of 3-Nitroazobenzene?
The molecular weight of 3-Nitroazobenzene is 227.07 g/mol.
Where can I buy 3-Nitroazobenzene?
You can request a quote for 3-Nitroazobenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitroazobenzene?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitroazobenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.