Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-
TL;DR: Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- (CAS 47142-25-6) is a chemical compound with molecular formula C12H9N4O5+ and molecular weight 289.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide
Also Known As: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide, Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-, 3-Carbamoyl-1-(2,4-dinitro-phenyl)-pyridinium, 3-(Aminocarbonyl)-1-(2,4-dinitrophenyl)pyridinium, 3-Carbamoyl-1-(2,4-dinitrophenyl)pyridin-1-ium
| Molecular Formula | C12H9N4O5+ |
|---|---|
| Molecular Weight | 289.06 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 289.05728 |
| Heavy Atoms | 21 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 47142-25-6 |
|---|---|
| SMILES | C1=CC(=C[N+](=C1)C2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-])C(=O)N |
| InChIKey | VWHZJMOVQGPJPN-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- (CAS 47142-25-6), with molecular formula C12H9N4O5+ and molecular weight 289.06 g/mol. IUPAC: 1-(2,4-dinitrophenyl)pyridin-1-ium-3-carboxamide.
Chemical Property Profile of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-
Property Insights of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-. Following Lipinski's Rule of Five, Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- has 1 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 Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-?
The CAS number of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- is 47142-25-6.
What is the molecular formula of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-?
The molecular formula of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- is C12H9N4O5+.
What is the molecular weight of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-?
The molecular weight of Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- is 289.06 g/mol.
Where can I buy Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-?
You can request a quote for Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 3-(aminocarbonyl)-1-(2,4-dinitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.