3-硝基-N-(4-硝基苯基)苯胺
TL;DR: 3-硝基-N-(4-硝基苯基)苯胺 (CAS 15979-87-0) 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.
3-硝基-N-(4-硝基苯基)苯胺
3-nitro-N-(4-nitrophenyl)aniline
Also Known As: 3-nitro-N-(4-nitrophenyl)aniline, 4-nitro-N-(3-nitrophenyl)aniline, 3-NITRO-N-(4-NITROPHENYL)BENZENAMINE, J1.549.329A, RefChem:281320
| Molecular Formula | C12H9N3O4 |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 3.6 |
| 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 | 331.0 |
Chemical Identifiers
| CAS Number | 15979-87-0 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])NC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GBRRZYZALUGPSM-UHFFFAOYSA-N |
Product Overview
3-硝基-N-(4-硝基苯基)苯胺 (CAS 15979-87-0), with molecular formula C12H9N3O4 and molecular weight 259.06 g/mol. IUPAC: 3-nitro-N-(4-nitrophenyl)aniline.
Chemical Property Profile of 3-硝基-N-(4-硝基苯基)苯胺
Property Insights of 3-硝基-N-(4-硝基苯基)苯胺
The XLogP value of 3.6 indicates that 3-硝基-N-(4-硝基苯基)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 3-硝基-N-(4-硝基苯基)苯胺. Following Lipinski's Rule of Five, 3-硝基-N-(4-硝基苯基)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 3-硝基-N-(4-硝基苯基)苯胺?
The CAS number of 3-硝基-N-(4-硝基苯基)苯胺 is 15979-87-0.
What is the molecular formula of 3-硝基-N-(4-硝基苯基)苯胺?
The molecular formula of 3-硝基-N-(4-硝基苯基)苯胺 is C12H9N3O4.
What is the molecular weight of 3-硝基-N-(4-硝基苯基)苯胺?
The molecular weight of 3-硝基-N-(4-硝基苯基)苯胺 is 259.06 g/mol.
Where can I buy 3-硝基-N-(4-硝基苯基)苯胺?
You can request a quote for 3-硝基-N-(4-硝基苯基)苯胺 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-硝基-N-(4-硝基苯基)苯胺?
Yes, KEHONG BIO provides custom synthesis services for 3-硝基-N-(4-硝基苯基)苯胺 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.