Ar,ar-dinitrobenzenamine
TL;DR: Ar,ar-dinitrobenzenamine (CAS 89698-92-0) is a chemical compound with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-dinitroaniline
Also Known As: 2,3-Dinitroaniline, Dinitroanilines, DINITROANILINE, Aniline, 2,3-dinitro-, Aniline, dinitro-
| Molecular Formula | C6H5N3O4 |
|---|---|
| Molecular Weight | 183.03 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 183.028 |
| Heavy Atoms | 13 |
| Complexity | 221.0 |
Chemical Identifiers
| CAS Number | 89698-92-0 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | CGNBQYFXGQHUQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 19 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ar,ar-dinitrobenzenamine (CAS 89698-92-0), with molecular formula C6H5N3O4 and molecular weight 183.03 g/mol. IUPAC: 2,3-dinitroaniline.
Chemical Property Profile of Ar,ar-dinitrobenzenamine
Property Insights of Ar,ar-dinitrobenzenamine
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ar,ar-dinitrobenzenamine. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ar,ar-dinitrobenzenamine. Following Lipinski's Rule of Five, Ar,ar-dinitrobenzenamine 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 Ar,ar-dinitrobenzenamine?
The CAS number of Ar,ar-dinitrobenzenamine is 89698-92-0.
What is the molecular formula of Ar,ar-dinitrobenzenamine?
The molecular formula of Ar,ar-dinitrobenzenamine is C6H5N3O4.
What is the molecular weight of Ar,ar-dinitrobenzenamine?
The molecular weight of Ar,ar-dinitrobenzenamine is 183.03 g/mol.
Where can I buy Ar,ar-dinitrobenzenamine?
You can request a quote for Ar,ar-dinitrobenzenamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ar,ar-dinitrobenzenamine?
Yes, KEHONG BIO provides custom synthesis services for Ar,ar-dinitrobenzenamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.