Bis(2,4,6-trinitrophenyl)methanone
TL;DR: Bis(2,4,6-trinitrophenyl)methanone (CAS 32255-36-0) is a chemical compound with molecular formula C13H4N6O13 and molecular weight 451.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2,4,6-trinitrophenyl)methanone
Also Known As: bis(2,4,6-trinitrophenyl)methanone, 2,2',4,4',6,6'-hexanitrobenzophenone
| Molecular Formula | C13H4N6O13 |
|---|---|
| Molecular Weight | 451.98 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 292.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 13 |
| Rotatable Bonds | 2 |
| Exact Mass | 451.98364 |
| Heavy Atoms | 32 |
| Complexity | 729.0 |
Chemical Identifiers
| CAS Number | 32255-36-0 |
|---|---|
| SMILES | C1=C(C=C(C(=C1[N+](=O)[O-])C(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | NCQKIVJBUPRGNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2,4,6-trinitrophenyl)methanone (CAS 32255-36-0), with molecular formula C13H4N6O13 and molecular weight 451.98 g/mol. IUPAC: bis(2,4,6-trinitrophenyl)methanone.
Chemical Property Profile of Bis(2,4,6-trinitrophenyl)methanone
Property Insights of Bis(2,4,6-trinitrophenyl)methanone
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2,4,6-trinitrophenyl)methanone. The TPSA of 292.0 Ų indicates high polarity, suggesting Bis(2,4,6-trinitrophenyl)methanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2,4,6-trinitrophenyl)methanone has 0 hydrogen bond donor(s) and 13 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2,4,6-trinitrophenyl)methanone?
The CAS number of Bis(2,4,6-trinitrophenyl)methanone is 32255-36-0.
What is the molecular formula of Bis(2,4,6-trinitrophenyl)methanone?
The molecular formula of Bis(2,4,6-trinitrophenyl)methanone is C13H4N6O13.
What is the molecular weight of Bis(2,4,6-trinitrophenyl)methanone?
The molecular weight of Bis(2,4,6-trinitrophenyl)methanone is 451.98 g/mol.
Where can I buy Bis(2,4,6-trinitrophenyl)methanone?
You can request a quote for Bis(2,4,6-trinitrophenyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,4,6-trinitrophenyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,4,6-trinitrophenyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.