![4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid structure](/static/products/121/1212201-44-9.webp)
4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid
TL;DR: 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid (CAS 1212201-44-9) is a chemical compound with molecular formula C13H17N3O4 and molecular weight 279.12192 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-[[(5-nitro-2-pyridinyl)amino]methyl]cyclohexane-1-carboxylic acid
Also Known As: 4-[[(5-nitropyridin-2-yl)amino]methyl]cyclohexane-1-carboxylic Acid, 4-{[(5-nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid, (1r,4r)-4-(((5-nitropyridin-2-yl)amino)methyl)cyclohexanecarboxylic acid
Technical Specifications
| Molecular Formula | C13H17N3O4 |
| Molecular Weight | 279.12192 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 112.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 279.12192 Da |
| Heavy Atoms | 20 |
| Complexity | 345.0 |
| SMILES | C1CC(CCC1CNC2=NC=C(C=C2)[N+](=O)[O-])C(=O)O |
| InChIKey | OEIYHUSVJULXIR-UHFFFAOYSA-N |
Chemical Property Profile of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid
Property Insights of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid. Following Lipinski's Rule of Five, 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid has 2 hydrogen bond donor(s) and 5 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-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid?
The CAS number of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid is 1212201-44-9.
What is the molecular formula of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid?
The molecular formula of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid is C13H17N3O4.
What is the molecular weight of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid?
The molecular weight of 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid is 279.12192 g/mol.
Where can I buy 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid?
You can request a quote for 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid?
Yes, CoreyChem provides custom synthesis services for 4-{[(5-Nitropyridin-2-yl)amino]methyl}cyclohexanecarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.