2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid
TL;DR: 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid (CAS 871256-69-8) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid
Also Known As: 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid, 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic Acid
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 1.8056 |
| Topological Polar Surface Area | 68.01 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 539.01776 |
Chemical Identifiers
| CAS Number | 871256-69-8 |
|---|---|
| SMILES | CN1C=CN=C1CSC2=C(C=CC=N2)C(=O)O |
Product Overview
2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid (CAS 871256-69-8), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 2-[(1-methylimidazol-2-yl)methylsulfanyl]pyridine-3-carboxylic acid.
Chemical Property Profile of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid
Property Insights of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid
The XLogP value of 1.8056 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid. The TPSA of 68.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid. Following Lipinski's Rule of Five, 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid 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
Frequently Asked Questions
What is the CAS number of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid?
The CAS number of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid is 871256-69-8.
What is the molecular formula of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid?
The molecular formula of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid is C11H11N3O2S.
What is the molecular weight of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid?
The molecular weight of 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid is 249.06 g/mol.
Where can I buy 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid?
You can request a quote for 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(((1-Methyl-1h-imidazol-2-yl)methyl)thio)nicotinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.