2,2',4,4',6-Pentanitrobenzophenone
TL;DR: 2,2',4,4',6-Pentanitrobenzophenone (CAS 32255-35-9) is a chemical compound with molecular formula C13H5N5O11 and molecular weight 407.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,4-dinitrophenyl)-(2,4,6-trinitrophenyl)methanone
Also Known As: 2,2',4,4',6-Pentanitrobenzophenone, 2,2',4,4',6-Pentanitrobenzophenon, (2,4-dinitrophenyl)-(2,4,6-trinitrophenyl)methanone, (2,4-Dinitrophenyl)(2,4,6-trinitrophenyl)methanone, Methanone,(2,4-dinitrophenyl)(2,4,6-trinitrophenyl)-
| Molecular Formula | C13H5N5O11 |
|---|---|
| Molecular Weight | 407.00 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 246.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 2 |
| Exact Mass | 406.99857 |
| Heavy Atoms | 29 |
| Complexity | 706.0 |
Chemical Identifiers
| CAS Number | 32255-35-9 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])C(=O)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SZWQTMLLIXBBNS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2',4,4',6-Pentanitrobenzophenone (CAS 32255-35-9), with molecular formula C13H5N5O11 and molecular weight 407.00 g/mol. IUPAC: (2,4-dinitrophenyl)-(2,4,6-trinitrophenyl)methanone.
Chemical Property Profile of 2,2',4,4',6-Pentanitrobenzophenone
Property Insights of 2,2',4,4',6-Pentanitrobenzophenone
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2',4,4',6-Pentanitrobenzophenone. The TPSA of 246.0 Ų indicates high polarity, suggesting 2,2',4,4',6-Pentanitrobenzophenone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2,2',4,4',6-Pentanitrobenzophenone has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,2',4,4',6-Pentanitrobenzophenone?
The CAS number of 2,2',4,4',6-Pentanitrobenzophenone is 32255-35-9.
What is the molecular formula of 2,2',4,4',6-Pentanitrobenzophenone?
The molecular formula of 2,2',4,4',6-Pentanitrobenzophenone is C13H5N5O11.
What is the molecular weight of 2,2',4,4',6-Pentanitrobenzophenone?
The molecular weight of 2,2',4,4',6-Pentanitrobenzophenone is 407.00 g/mol.
Where can I buy 2,2',4,4',6-Pentanitrobenzophenone?
You can request a quote for 2,2',4,4',6-Pentanitrobenzophenone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2',4,4',6-Pentanitrobenzophenone?
Yes, KEHONG BIO provides custom synthesis services for 2,2',4,4',6-Pentanitrobenzophenone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.