![1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium structure](/static/products/1030/1030389-87-7.webp)
1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
TL;DR: 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium (CAS 1030389-87-7) is a chemical compound with molecular formula C15H16N3O3+ and molecular weight 286.11917 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(2-methyl-4-nitrophenyl)-2-pyridin-1-ium-1-ylpropanamide
Also Known As: BAS 01248435, 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium, N-(2-methyl-4-nitrophenyl)-2-pyridin-1-ium-1-ylpropanamide
Technical Specifications
| Molecular Formula | C15H16N3O3+ |
| Molecular Weight | 286.11917 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 286.11917 Da |
| Heavy Atoms | 21 |
| Complexity | 377.0 |
| SMILES | CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C(C)[N+]2=CC=CC=C2 |
| InChIKey | WEHKSNKZHKAZLR-UHFFFAOYSA-O |
Chemical Property Profile of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
Property Insights of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium. Following Lipinski's Rule of Five, 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium?
The CAS number of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium is 1030389-87-7.
What is the molecular formula of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium?
The molecular formula of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium is C15H16N3O3+.
What is the molecular weight of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium?
The molecular weight of 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium is 286.11917 g/mol.
Where can I buy 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium?
You can request a quote for 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium?
Yes, CoreyChem provides custom synthesis services for 1-[1-(2-Methyl-4-nitro-phenylcarbamoyl)-ethyl]-pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.