3,3'-Dinitrobenzophenone
TL;DR: 3,3'-Dinitrobenzophenone (CAS 21222-05-9) is a chemical compound with molecular formula C13H8N2O5 and molecular weight 272.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(3-nitrophenyl)methanone
Also Known As: Bis(3-nitrophenyl)methanone, 3,3'-Dinitrobenzophenone, 1-Boc-pyrazole, di3-nitrophenyl ketone, Methanone, bis(3-nitrophenyl)-
| Molecular Formula | C13H8N2O5 |
|---|---|
| Molecular Weight | 272.04 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 272.04333 |
| Heavy Atoms | 20 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 21222-05-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)C2=CC(=CC=C2)[N+](=O)[O-] |
| InChIKey | BSDKBWGNIJMCID-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dinitrobenzophenone (CAS 21222-05-9), with molecular formula C13H8N2O5 and molecular weight 272.04 g/mol. IUPAC: bis(3-nitrophenyl)methanone.
Chemical Property Profile of 3,3'-Dinitrobenzophenone
Property Insights of 3,3'-Dinitrobenzophenone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Dinitrobenzophenone. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Dinitrobenzophenone. Following Lipinski's Rule of Five, 3,3'-Dinitrobenzophenone has 0 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 3,3'-Dinitrobenzophenone?
The CAS number of 3,3'-Dinitrobenzophenone is 21222-05-9.
What is the molecular formula of 3,3'-Dinitrobenzophenone?
The molecular formula of 3,3'-Dinitrobenzophenone is C13H8N2O5.
What is the molecular weight of 3,3'-Dinitrobenzophenone?
The molecular weight of 3,3'-Dinitrobenzophenone is 272.04 g/mol.
Where can I buy 3,3'-Dinitrobenzophenone?
You can request a quote for 3,3'-Dinitrobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dinitrobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dinitrobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.