2,4-二硝基-N-苯基苯胺
TL;DR: 2,4-二硝基-N-苯基苯胺 (CAS 961-68-2) is a chemical compound with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-二硝基-N-苯基苯胺
2,4-dinitro-N-phenylaniline
Also Known As: 2,4-Dinitrodiphenylamine, 2,4-Dinitro-N-phenylaniline, Supracet Yellow 3G, Serisol Yellow 2G, o,p-Dinitrodiphenylamine
| Molecular Formula | C12H9N3O4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 259.0593 |
| Heavy Atoms | 19 |
| Complexity | 333.0 |
Chemical Identifiers
| CAS Number | 961-68-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)NC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RHTVQEPJVKUMPI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,4-二硝基-N-苯基苯胺 (CAS 961-68-2), with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol. IUPAC: 2,4-dinitro-N-phenylaniline.
Chemical Property Profile of 2,4-二硝基-N-苯基苯胺
Property Insights of 2,4-二硝基-N-苯基苯胺
The XLogP value of 3.5 indicates that 2,4-二硝基-N-苯基苯胺 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-二硝基-N-苯基苯胺. Following Lipinski's Rule of Five, 2,4-二硝基-N-苯基苯胺 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 2,4-二硝基-N-苯基苯胺?
The CAS number of 2,4-二硝基-N-苯基苯胺 is 961-68-2.
What is the molecular formula of 2,4-二硝基-N-苯基苯胺?
The molecular formula of 2,4-二硝基-N-苯基苯胺 is C12H9N3O4.
What is the molecular weight of 2,4-二硝基-N-苯基苯胺?
The molecular weight of 2,4-二硝基-N-苯基苯胺 is 259.06 g/mol.
Where can I buy 2,4-二硝基-N-苯基苯胺?
You can request a quote for 2,4-二硝基-N-苯基苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-二硝基-N-苯基苯胺?
Yes, KEHONG BIO provides custom synthesis services for 2,4-二硝基-N-苯基苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.