4,4'-亚甲基双(2-硝基苯胺)
TL;DR: 4,4'-亚甲基双(2-硝基苯胺) (CAS 17474-44-1) is a chemical compound with molecular formula C13H12N4O4 and molecular weight 288.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4'-亚甲基双(2-硝基苯胺)
4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline
Also Known As: 4,4'-Methylenebis(2-nitroaniline), 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline, [4-(4-amino-3-nitrobenzyl)-2-nitrophenyl]amine, Benzenamine, 4,4'-methylenebis[2-nitro-, 4,4/'-methylenebis[2-nitroaniline]
| Molecular Formula | C13H12N4O4 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.08585 |
| Heavy Atoms | 21 |
| Complexity | 359.0 |
Chemical Identifiers
| CAS Number | 17474-44-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC2=CC(=C(C=C2)N)[N+](=O)[O-])[N+](=O)[O-])N |
| InChIKey | WJLPZRZKWVPCMN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-亚甲基双(2-硝基苯胺) (CAS 17474-44-1), with molecular formula C13H12N4O4 and molecular weight 288.09 g/mol. IUPAC: 4-[(4-amino-3-nitrophenyl)methyl]-2-nitroaniline.
Chemical Property Profile of 4,4'-亚甲基双(2-硝基苯胺)
Property Insights of 4,4'-亚甲基双(2-硝基苯胺)
The XLogP value of 3.2 indicates that 4,4'-亚甲基双(2-硝基苯胺) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 144.0 Ų indicates high polarity, suggesting 4,4'-亚甲基双(2-硝基苯胺) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-亚甲基双(2-硝基苯胺) has 2 hydrogen bond donor(s) and 6 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 4,4'-亚甲基双(2-硝基苯胺)?
The CAS number of 4,4'-亚甲基双(2-硝基苯胺) is 17474-44-1.
What is the molecular formula of 4,4'-亚甲基双(2-硝基苯胺)?
The molecular formula of 4,4'-亚甲基双(2-硝基苯胺) is C13H12N4O4.
What is the molecular weight of 4,4'-亚甲基双(2-硝基苯胺)?
The molecular weight of 4,4'-亚甲基双(2-硝基苯胺) is 288.09 g/mol.
Where can I buy 4,4'-亚甲基双(2-硝基苯胺)?
You can request a quote for 4,4'-亚甲基双(2-硝基苯胺) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-亚甲基双(2-硝基苯胺)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-亚甲基双(2-硝基苯胺) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.