![4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium structure](/static/products/1030/1030389-06-0.webp)
4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium
TL;DR: 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium (CAS 1030389-06-0) is a chemical compound with molecular formula C20H18N3O3+ and molecular weight 348.13483 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-benzylpyridin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide
Also Known As: 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium, BAS 01213376, 2-(4-benzylpyridin-1-ium-1-yl)-N-(3-nitrophenyl)acetamide, 4-benzyl-1-[2-(3-nitroanilino)-2-oxoethyl]pyridinium
Technical Specifications
| Molecular Formula | C20H18N3O3+ |
| Molecular Weight | 348.13483 g/mol |
| XLogP | 3.7 |
| Topological Polar Surface Area (TPSA) | 78.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.13483 Da |
| Heavy Atoms | 26 |
| Complexity | 465.0 |
| SMILES | C1=CC=C(C=C1)CC2=CC=[N+](C=C2)CC(=O)NC3=CC(=CC=C3)[N+](=O)[O-] |
| InChIKey | NQNKRHIGFMVCEI-UHFFFAOYSA-O |
Chemical Property Profile of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium
Property Insights of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium
The XLogP value of 3.7 indicates that 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium. Following Lipinski's Rule of Five, 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-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 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium?
The CAS number of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium is 1030389-06-0.
What is the molecular formula of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium?
The molecular formula of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium is C20H18N3O3+.
What is the molecular weight of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium?
The molecular weight of 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium is 348.13483 g/mol.
Where can I buy 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium?
You can request a quote for 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium?
Yes, CoreyChem provides custom synthesis services for 4-Benzyl-1-[(3-nitro-phenylcarbamoyl)-methyl]-pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.