![1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium structure](/static/products/6867/686700-73-2.webp)
1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium
TL;DR: 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium (CAS 686700-73-2) is a chemical compound with molecular formula C13H12N3O3+ and molecular weight 258.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide
Also Known As: BAS 01029724, 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium, N-(2-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide, N-(2-nitrophenyl)-2-(1-pyridin-1-iumyl)acetamide;chloride, N-(2-nitrophenyl)-2-pyridin-1-ium-1-yl-acetamide;chloride
| Molecular Formula | C13H12N3O3+ |
|---|---|
| Molecular Weight | 258.09 g/mol |
| LogP | 1.521 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 258.08786 |
| Heavy Atoms | 19 |
| Complexity | 599.0922 |
Chemical Identifiers
| CAS Number | 686700-73-2 |
|---|---|
| SMILES | C1=CC=[N+](C=C1)CC(=O)NC2=CC=CC=C2[N+](=O)[O-] |
Product Overview
1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium (CAS 686700-73-2), with molecular formula C13H12N3O3+ and molecular weight 258.09 g/mol. IUPAC: N-(2-nitrophenyl)-2-pyridin-1-ium-1-ylacetamide.
Chemical Property Profile of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium
Property Insights of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium
The XLogP value of 1.521 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium. Following Lipinski's Rule of Five, 1-[(2-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
Frequently Asked Questions
What is the CAS number of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium?
The CAS number of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium is 686700-73-2.
What is the molecular formula of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium?
The molecular formula of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium is C13H12N3O3+.
What is the molecular weight of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium?
The molecular weight of 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium is 258.09 g/mol.
Where can I buy 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium?
You can request a quote for 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium?
Yes, KEHONG BIO provides custom synthesis services for 1-[(2-Nitro-phenylcarbamoyl)-methyl]-pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.