2,2'-Dinitrobibenzyl
TL;DR: 2,2'-Dinitrobibenzyl (CAS 16968-19-7) is a chemical compound with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-nitro-2-[2-(2-nitrophenyl)ethyl]benzene
Also Known As: 2,2'-Dinitrodibenzyl, 1,2-Bis(2-nitrophenyl)ethane, 2,2'-Dinitrobibenzyl, Bis(o-nitrobenzyl), o,o'-Dinitrodibenzyl
| Molecular Formula | C14H12N2O4 |
|---|---|
| Molecular Weight | 272.08 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 91.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 272.0797 |
| Heavy Atoms | 20 |
| Complexity | 316.0 |
Chemical Identifiers
| CAS Number | 16968-19-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CCC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YBOZRPPSBVIHGJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2'-Dinitrobibenzyl (CAS 16968-19-7), with molecular formula C14H12N2O4 and molecular weight 272.08 g/mol. IUPAC: 1-nitro-2-[2-(2-nitrophenyl)ethyl]benzene.
Chemical Property Profile of 2,2'-Dinitrobibenzyl
Property Insights of 2,2'-Dinitrobibenzyl
The XLogP value of 3.8 indicates that 2,2'-Dinitrobibenzyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 91.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2'-Dinitrobibenzyl. Following Lipinski's Rule of Five, 2,2'-Dinitrobibenzyl has 0 hydrogen bond donor(s) and 4 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 2,2'-Dinitrobibenzyl?
The CAS number of 2,2'-Dinitrobibenzyl is 16968-19-7.
What is the molecular formula of 2,2'-Dinitrobibenzyl?
The molecular formula of 2,2'-Dinitrobibenzyl is C14H12N2O4.
What is the molecular weight of 2,2'-Dinitrobibenzyl?
The molecular weight of 2,2'-Dinitrobibenzyl is 272.08 g/mol.
Where can I buy 2,2'-Dinitrobibenzyl?
You can request a quote for 2,2'-Dinitrobibenzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2'-Dinitrobibenzyl?
Yes, KEHONG BIO provides custom synthesis services for 2,2'-Dinitrobibenzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.