4,4'-Methylenebis(3-nitroaniline)
TL;DR: 4,4'-Methylenebis(3-nitroaniline) (CAS 26946-33-8) 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-amino-2-nitrophenyl)methyl]-3-nitroaniline
Also Known As: 4,4'-Methylenebis(3-nitroaniline), Aniline, 4,4'-methylenebis(3-nitro-, 4,4'-Diamino-2,2'-dinitrodiphenylmethane, 4-[(4-amino-2-nitrophenyl)methyl]-3-nitroaniline, CHEMBRDG-BB 5101080
| Molecular Formula | C13H12N4O4 |
|---|---|
| Molecular Weight | 288.09 g/mol |
| LogP | 2.1 |
| 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 | 26946-33-8 |
|---|---|
| SMILES | C1=CC(=C(C=C1N)[N+](=O)[O-])CC2=C(C=C(C=C2)N)[N+](=O)[O-] |
| InChIKey | KENYTAOVAUETRB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4'-Methylenebis(3-nitroaniline) (CAS 26946-33-8), with molecular formula C13H12N4O4 and molecular weight 288.09 g/mol. IUPAC: 4-[(4-amino-2-nitrophenyl)methyl]-3-nitroaniline.
Chemical Property Profile of 4,4'-Methylenebis(3-nitroaniline)
Property Insights of 4,4'-Methylenebis(3-nitroaniline)
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4'-Methylenebis(3-nitroaniline). The TPSA of 144.0 Ų indicates high polarity, suggesting 4,4'-Methylenebis(3-nitroaniline) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,4'-Methylenebis(3-nitroaniline) 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'-Methylenebis(3-nitroaniline)?
The CAS number of 4,4'-Methylenebis(3-nitroaniline) is 26946-33-8.
What is the molecular formula of 4,4'-Methylenebis(3-nitroaniline)?
The molecular formula of 4,4'-Methylenebis(3-nitroaniline) is C13H12N4O4.
What is the molecular weight of 4,4'-Methylenebis(3-nitroaniline)?
The molecular weight of 4,4'-Methylenebis(3-nitroaniline) is 288.09 g/mol.
Where can I buy 4,4'-Methylenebis(3-nitroaniline)?
You can request a quote for 4,4'-Methylenebis(3-nitroaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4'-Methylenebis(3-nitroaniline)?
Yes, KEHONG BIO provides custom synthesis services for 4,4'-Methylenebis(3-nitroaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.