![1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium structure](/static/products/1030/1030389-63-9.webp)
1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium
TL;DR: 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium (CAS 1030389-63-9) is a chemical compound with molecular formula C15H16ClN4O3+ and molecular weight 335.0911 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-chloro-3-nitrophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
Also Known As: BAS 01213406, 1-[(4-Chloro-3-nitro-phenylcarbamoyl)-methyl]-4-dimethylamino-pyridinium, 1-[2-(4-chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium, N-(4-chloro-3-nitrophenyl)-2-[4-(dimethylamino)pyridin-1-ium-1-yl]acetamide
Technical Specifications
| Molecular Formula | C15H16ClN4O3+ |
| Molecular Weight | 335.0911 g/mol |
| XLogP | 2.6 |
| Topological Polar Surface Area (TPSA) | 82.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 335.0911 Da |
| Heavy Atoms | 23 |
| Complexity | 421.0 |
| SMILES | CN(C)C1=CC=[N+](C=C1)CC(=O)NC2=CC(=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | YICVNAFBEBAXFG-UHFFFAOYSA-O |
Chemical Property Profile of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium
Property Insights of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium. The TPSA of 82.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium. Following Lipinski's Rule of Five, 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium has 1 hydrogen bond donor(s) and 4 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-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium?
The CAS number of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium is 1030389-63-9.
What is the molecular formula of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium?
The molecular formula of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium is C15H16ClN4O3+.
What is the molecular weight of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium?
The molecular weight of 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium is 335.0911 g/mol.
Where can I buy 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium?
You can request a quote for 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium?
Yes, CoreyChem provides custom synthesis services for 1-[2-(4-Chloro-3-nitroanilino)-2-oxoethyl]-4-(dimethylamino)pyridinium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.