1,1'-Methylenebis(2,4-dinitrobenzene)
TL;DR: 1,1'-Methylenebis(2,4-dinitrobenzene) (CAS 1817-76-1) is a chemical compound with molecular formula C13H8N4O8 and molecular weight 348.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene
Also Known As: 2,2',4,4'-tetranitrodiphenylmethane, 1-(2,4-dinitrobenzyl)-2,4-dinitrobenzene, 1-[(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene, Bis(2,4-dinitrophenyl)methane, 1,1'-methanediylbis(2,4-dinitrobenzene)
| Molecular Formula | C13H8N4O8 |
|---|---|
| Molecular Weight | 348.03 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 183.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 348.0342 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 1817-76-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | MTDLIOADHKERAQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,1'-Methylenebis(2,4-dinitrobenzene) (CAS 1817-76-1), with molecular formula C13H8N4O8 and molecular weight 348.03 g/mol. IUPAC: 1-[(2,4-dinitrophenyl)methyl]-2,4-dinitrobenzene.
Chemical Property Profile of 1,1'-Methylenebis(2,4-dinitrobenzene)
Property Insights of 1,1'-Methylenebis(2,4-dinitrobenzene)
The XLogP value of 3.2 indicates that 1,1'-Methylenebis(2,4-dinitrobenzene) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 183.0 Ų indicates high polarity, suggesting 1,1'-Methylenebis(2,4-dinitrobenzene) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Methylenebis(2,4-dinitrobenzene) has 0 hydrogen bond donor(s) and 8 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 1,1'-Methylenebis(2,4-dinitrobenzene)?
The CAS number of 1,1'-Methylenebis(2,4-dinitrobenzene) is 1817-76-1.
What is the molecular formula of 1,1'-Methylenebis(2,4-dinitrobenzene)?
The molecular formula of 1,1'-Methylenebis(2,4-dinitrobenzene) is C13H8N4O8.
What is the molecular weight of 1,1'-Methylenebis(2,4-dinitrobenzene)?
The molecular weight of 1,1'-Methylenebis(2,4-dinitrobenzene) is 348.03 g/mol.
Where can I buy 1,1'-Methylenebis(2,4-dinitrobenzene)?
You can request a quote for 1,1'-Methylenebis(2,4-dinitrobenzene) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Methylenebis(2,4-dinitrobenzene)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Methylenebis(2,4-dinitrobenzene) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.